%chk=000151610.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151610

0 1
 O  -0.4667000      0.6632000      -2.107700    
 O    2.036100       4.117200     -7.8699999E-02
 O   0.5496000       5.555600     -0.9917000    
 O   -1.040400      -1.187900       1.361400    
 O   -3.904900      -2.069800      -1.324000    
 N   0.5225000       1.973600     -0.4640000    
 N   0.1479000      -1.540400     -0.6033000    
 N   -2.915000      -3.028100      0.5439000    
 N   -6.381000      -2.646500     -0.2728000    
 C   -1.457600       3.420000     -0.1540000    
 C   -1.559400       3.153200       1.365100    
 C  -8.8000000E-02   3.227500     -0.8223000    
 C    1.018100     -0.3952000     -0.5108000    
 C    2.357800     -0.6271000      -1.219100    
 C   0.2825000      0.7822000      -1.140600    
 C   -2.970900       3.309600       1.926100    
 C  -0.6079000       4.098300       2.108500    
 C   0.8372000       4.419100     -0.6317000    
 C    3.319100      -1.448600     -0.3953000    
 C  -0.8180000      -1.846200      0.3476000    
 C    4.200600     -0.8177000      0.4827000    
 C    3.325800      -2.838800     -0.5112000    
 C   -1.563400      -3.121400      1.1000000E-02
 C    5.089000      -1.576900       1.244400    
 C    4.214100      -3.597700      0.2507000    
 C    5.095700      -2.966700       1.128400    
 C   -3.971900      -2.506700     -0.1772000    
 C   -5.251100      -2.503900      0.6343000    
 H   -1.829600       4.431200     -0.3660000    
 H   -2.163800       2.735500     -0.6446000    
 H   -1.245200       2.121600       1.567400    
 H  -0.2547000       3.190900      -1.907800    
 H    1.179400     -0.1808000      0.5535000    
 H    1.154600       1.969700      0.3313000    
 H    2.205900      -1.106200      -2.195900    
 H    2.834900      0.3361000      -1.446000    
 H   -2.997900       3.077100       2.995800    
 H   -3.663200       2.630100       1.418200    
 H   -3.339700       4.331700       1.789400    
 H   0.4372000       3.824300       1.948900    
 H  -0.7754000       4.038800       3.190200    
 H  -0.7557000       5.141100       1.808800    
 H   0.2164000      -2.120000      -1.435000    
 H    4.202900      0.2644000      0.5839000    
 H    2.644300      -3.342500      -1.191400    
 H   -1.610100      -3.282600      -1.070100    
 H   -1.062400      -3.966900      0.4905000    
 H    2.610500       4.907800      5.7000001E-03
 H    5.774900      -1.085700       1.928400    
 H    4.219400      -4.680100      0.1606000    
 H    5.787200      -3.557800       1.721700    
 H   -3.062700      -3.336200       1.500500    
 H   -5.256800      -3.332400       1.349300    
 H   -5.314600      -1.561200       1.186800    
 H   -7.247300      -2.634600      0.2644000    
 H   -6.425200      -1.839500     -0.8942000    


%chk=000151610-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151610

0 1
O 1.931868 2.095526 -1.854430
O 0.431379 3.882977 2.292588
O -0.235060 5.758707 1.098764
O -0.224132 0.119017 1.654204
O -3.662017 -3.297656 0.887682
N 0.807885 2.360554 0.170936
N 0.718630 -0.683780 -0.311123
N -2.293684 -1.574570 1.610554
N -5.229140 -3.161249 3.139252
C -0.887334 3.765631 -1.092459
C -2.082432 2.857769 -0.705838
C 0.358303 3.721066 -0.145778
C 1.908491 0.199194 -0.245159
C 3.064326 -0.382024 -1.093848
C 1.554063 1.640205 -0.729294
C -3.151066 2.928107 -1.823995
C -2.706011 3.211258 0.665945
C 0.145052 4.569317 1.104192
C 3.381529 -1.832614 -0.758572
C -0.233548 -0.701475 0.671503
C 3.928235 -2.187846 0.502593
C 3.122536 -2.864043 -1.697448
C -1.325238 -1.770053 0.537723
C 4.201499 -3.536195 0.818926
C 3.393620 -4.217073 -1.384700
C 3.931439 -4.557393 -0.123294
C -3.417969 -2.358841 1.710849
C -4.375061 -2.008038 2.864382
H -1.217983 4.820445 -1.156533
H -0.525997 3.468928 -2.094768
H -1.711871 1.812214 -0.654309
H 1.178190 4.212335 -0.709526
H 2.198717 0.256327 0.821824
H 0.498129 1.899112 1.040487
H 2.806716 -0.264612 -2.161938
H 3.944835 0.264318 -0.925283
H -3.993178 2.243480 -1.612358
H -2.725478 2.652340 -2.807052
H -3.562657 3.952297 -1.909261
H -2.006836 3.026714 1.501755
H -3.605193 2.594254 0.850303
H -3.011153 4.274378 0.698553
H 0.687894 -1.383476 -1.057647
H 4.147835 -1.403799 1.238579
H 2.726410 -2.604696 -2.688144
H -1.820538 -1.702806 -0.451314
H -0.876371 -2.782762 0.592063
H 0.278198 4.489340 3.066956
H 4.626637 -3.792127 1.795876
H 3.190844 -4.999597 -2.124402
H 4.143734 -5.603753 0.122020
H -2.058780 -0.843549 2.292379
H -3.775491 -1.718124 3.753227
H -4.934845 -1.093396 2.546949
H -6.136234 -2.957251 3.558610
H -5.258597 -3.819312 2.352800


