%chk=000163925.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163925

0 1
 O   -3.070400      -1.699300       1.970700    
 O   -3.488200     -0.8959000      -2.568900    
 N   -2.961900      -1.423100     -0.3503000    
 N    3.030800      0.3108000     -0.6972000    
 N    5.803800      0.2637000     -1.3300000E-02
 N    7.728100      -1.003300      0.5036000    
 N    7.889500       1.365600      9.1899998E-02
 C   -7.004300      0.3004000       1.123100    
 C   -7.144700      0.5721000     -0.4107000    
 C   -5.505100      0.1182000       1.492800    
 C   -5.740300      0.5732000      -1.078200    
 C   -5.038800      -1.126000      0.6865000    
 C   -5.178600     -0.8561000     -0.8390000    
 C   -7.675800       1.649300       1.313200    
 C   -7.796500       1.883500     -8.6000003E-03
 C   -4.740900       1.327600      0.9851000    
 C   -4.861200       1.560600     -0.3319000    
 C   -3.579400      -1.457900      0.8846000    
 C   -3.788200      -1.056200      -1.393700    
 C   -1.546600      -1.689100     -0.5222000    
 C  -0.6979000     -0.4285000     -0.3930000    
 C   0.7963000     -0.7005000     -0.5965000    
 C    1.609800      0.5890000     -0.4919000    
 C    3.808900       1.555500     -0.6659000    
 C    3.527800     -0.6145000      0.3283000    
 C    5.290500       1.283700     -0.9364000    
 C    5.000600     -0.9583000      9.2100002E-02
 C    7.185500      0.2069000      0.2013000    
 C    9.062300      -1.021900      0.7035000    
 C    9.218700       1.274300      0.3045000    
 C    9.866100      9.6299998E-02  0.6166000    
 H   -7.600700     -0.5537000       1.473200    
 H   -7.819900     -0.1296000     -0.9201000    
 H   -5.366300     -1.0800000E-02   2.570700    
 H   -5.797500      0.8234000      -2.142100    
 H   -5.629300      -2.008900      0.9616000    
 H   -5.836200      -1.610300      -1.289300    
 H   -7.954700       2.212200       2.198000    
 H   -8.208700       2.705300     -0.5850000    
 H   -4.148100       1.949100       1.643000    
 H   -4.374200       2.386900     -0.8324000    
 H   -1.396800      -2.133500      -1.512900    
 H   -1.235700      -2.422900      0.2302000    
 H  -0.8583000      2.0700000E-02  0.5955000    
 H   -1.036400      0.3134000      -1.127400    
 H    1.071500      -1.429900      0.1700000    
 H   0.9561000      -1.169000      -1.575500    
 H    1.434700       1.065500      0.4817000    
 H    1.258000       1.285800      -1.263000    
 H    3.442300       2.247100      -1.434200    
 H    3.699000       2.057300      0.3051000    
 H    3.012400      -1.577700      0.3089000    
 H    3.403500     -0.1886000       1.333000    
 H    5.821300       2.236700     -0.8283000    
 H    5.432800      0.9430000      -1.970000    
 H    5.334100      -1.577100      0.9342000    
 H    5.113300      -1.551600     -0.8244000    
 H    9.481400      -1.993200      0.9437000    
 H    9.767500       2.205600      0.2140000    
 H    10.93420      5.2200001E-02  0.7821000    


%chk=000163925-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163925

0 1
O -3.072438 -2.001773 1.777211
O -3.623767 -0.741504 -2.701167
N -3.067440 -1.463600 -0.522329
N 3.113159 -0.021030 -0.870985
N 5.962410 -0.026984 -0.486894
N 7.616410 -0.663188 1.075268
N 7.796154 1.433870 -0.192937
C -6.948051 0.412860 1.319985
C -7.135667 0.843097 -0.206103
C -5.438050 0.099920 1.591464
C -5.748473 0.811419 -0.932122
C -5.122240 -1.117927 0.642690
C -5.305437 -0.698605 -0.846310
C -7.513504 1.799313 1.661227
C -7.674693 2.168104 0.353065
C -4.582795 1.275861 1.148989
C -4.743183 1.643043 -0.152583
C -3.666387 -1.582302 0.753409
C -3.944067 -0.946669 -1.504495
C -1.653906 -1.787331 -0.783777
C -0.725619 -0.569724 -0.576245
C 0.756781 -0.941557 -0.799506
C 1.683078 0.276823 -0.605514
C 3.910757 1.217469 -1.071688
C 3.735559 -0.867995 0.179911
C 5.356195 0.875229 -1.483436
C 5.179341 -1.244412 -0.206676
C 7.152484 0.254821 0.146834
C 8.794342 -0.365165 1.680947
C 8.970329 1.683476 0.441474
C 9.532745 0.809578 1.402171
H -7.570602 -0.445366 1.639133
H -7.867191 0.234431 -0.772122
H -5.254919 -0.185571 2.640997
H -5.825354 1.120116 -1.988214
H -5.779664 -1.961959 0.922944
H -6.061657 -1.317079 -1.364703
H -7.705717 2.296113 2.615987
H -8.044932 3.072343 -0.137454
H -3.902601 1.777649 1.844448
H -4.206032 2.473092 -0.622272
H -1.584459 -2.148828 -1.825445
H -1.372795 -2.602465 -0.092678
H -0.865232 -0.183076 0.452056
H -1.023412 0.234452 -1.276688
H 1.033166 -1.752796 -0.097136
H 0.907053 -1.334712 -1.823652
H 1.533978 0.694540 0.425116
H 1.372168 1.067005 -1.316911
H 3.439360 1.813740 -1.874922
H 3.938108 1.847763 -0.145547
H 3.149659 -1.796440 0.295433
H 3.746702 -0.343131 1.170109
H 5.977752 1.780368 -1.554416
H 5.338658 0.365839 -2.468223
H 5.678380 -1.796913 0.603397
H 5.154715 -1.876044 -1.117799
H 9.150276 -1.099240 2.413786
H 9.470085 2.619274 0.163766
H 10.479680 1.029277 1.899533


