%chk=000051252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051252

0 1
 O    4.566700       1.677900       1.271600    
 N    2.823200      0.4249000     -0.5273000    
 N   -2.753000     -0.6933000      0.2329000    
 C   0.4648000      0.5924000      -1.131200    
 C  -0.1735000      0.5592000      0.2641000    
 C  -0.5199000      8.2599998E-02  -2.201400    
 C    1.777100     -0.1782000      -1.135300    
 C  -0.6126000      -1.439600      -2.210300    
 C   -1.458600       1.369900      0.2694000    
 C  -0.3720000     -0.8788000      0.7130000    
 C   0.7558000      -2.072700      -2.451300    
 C    1.879300      -1.374600      -1.744600    
 C   -2.713200      0.7210000      0.2161000    
 C   -1.651100      -1.477100      0.6496000    
 C    3.910100     -0.3339000      8.6900003E-02
 C    3.046100       1.866200     -0.6087000    
 C   -1.383100       2.774100      0.2882000    
 C   0.7393000      -1.618400       1.155300    
 C    4.262400      0.2900000       1.431600    
 C    3.436600       2.394000      0.7665000    
 C   -3.866000       1.527600      0.1920000    
 C   -1.764600      -2.821500       1.049600    
 C   -4.019200      -1.364300     -6.8099998E-02
 C   -2.539500       3.546000      0.2572000    
 C   0.5981000      -2.947800       1.538800    
 C   -3.780000       2.922700      0.2093000    
 C  -0.6532000      -3.548400       1.486100    
 H   0.6142000       1.632400      -1.427900    
 H   0.4920000       1.030200       1.001900    
 H  -0.1363000      0.3971000      -3.184000    
 H   -1.514300      0.5311000      -2.148300    
 H   -1.229900      -1.701000      -3.083400    
 H   -1.134700      -1.948300      -1.426100    
 H   0.9781000      -2.071900      -3.525500    
 H   0.7258000      -3.122700      -2.137600    
 H    2.832900      -1.895100      -1.784700    
 H    4.781100     -0.2902000     -0.5787000    
 H    3.672200      -1.391100      0.2457000    
 H    2.220400       2.467700     -0.9857000    
 H    3.880900       2.031300      -1.302600    
 H  -0.4159000       3.269900      0.3230000    
 H    1.699900      -1.150500       1.309200    
 H    3.448900      0.1828000       2.158100    
 H    5.147400     -0.1997000       1.850200    
 H    3.716600       3.449800      0.6966000    
 H    2.607600       2.315000       1.479700    
 H   -4.861900       1.092400      0.1833000    
 H   -2.724200      -3.331500       1.056200    
 H   -3.864200      -2.352500     -0.5160000    
 H   -4.603400     -0.8209000     -0.8196000    
 H   -4.622800      -1.475900      0.8390000    
 H   -2.472900       4.629500      0.2719000    
 H    1.456200      -3.504700       1.902400    
 H   -4.687100       3.520100      0.1929000    
 H  -0.7721000      -4.582300       1.797100    


%chk=000051252-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051252

0 1
O 4.906566 1.825831 1.091055
N 2.732712 0.479775 -0.306040
N -2.939799 -0.669616 0.247280
C 0.381408 0.437207 -1.199486
C -0.256785 0.434607 0.266140
C -0.503979 -0.200488 -2.306493
C 1.800864 -0.137886 -1.210601
C -0.298939 -1.722560 -2.459382
C -1.495969 1.319732 0.306686
C -0.562217 -0.947796 0.824297
C 1.170013 -2.021035 -2.824474
C 2.142738 -1.219640 -1.980660
C -2.801969 0.743321 0.242577
C -1.889497 -1.473494 0.770415
C 4.041945 -0.179833 -0.108640
C 2.876610 1.960761 -0.334393
C -1.373777 2.725432 0.357003
C 0.463317 -1.737104 1.389241
C 4.734266 0.366176 1.152024
C 3.587478 2.457447 0.935665
C -3.939928 1.597273 0.199767
C -2.142228 -2.784482 1.260936
C -4.242106 -1.275892 -0.052409
C -2.500265 3.576372 0.306679
C 0.216780 -3.043688 1.867121
C -3.786630 2.999124 0.219301
C -1.093644 -3.564980 1.792650
H 0.439139 1.518380 -1.450512
H 0.526333 0.888137 0.905016
H -0.251260 0.280995 -3.273265
H -1.563703 0.038301 -2.104200
H -0.973906 -2.117498 -3.243456
H -0.554539 -2.237476 -1.517039
H 1.342711 -1.796745 -3.900314
H 1.379123 -3.103821 -2.706215
H 3.188412 -1.549927 -2.017130
H 4.710894 -0.033018 -0.990016
H 3.879429 -1.266542 0.014672
H 1.883811 2.437658 -0.397305
H 3.461976 2.278873 -1.228950
H -0.368593 3.161610 0.431332
H 1.473066 -1.313259 1.432247
H 4.134937 0.099490 2.050409
H 5.751291 -0.048389 1.250991
H 3.783046 3.541128 0.880032
H 2.959308 2.235542 1.826684
H -4.949199 1.176442 0.182288
H -3.157475 -3.191182 1.261545
H -4.092256 -2.295444 -0.443375
H -4.749900 -0.691446 -0.837346
H -4.910442 -1.332331 0.832585
H -2.377962 4.663930 0.339588
H 1.030250 -3.642035 2.290810
H -4.676743 3.637646 0.186309
H -1.310211 -4.572681 2.165457


