%chk=000191321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191321

0 1
O 2.934639 0.470528 1.015064
O -1.172184 -1.157933 -1.534842
O 3.457963 -1.041425 2.612163
O -4.606197 0.999653 2.230803
O -5.489777 -0.945400 0.582734
N -0.095510 2.408648 0.250914
C 1.295721 2.978754 0.234360
C -0.079864 0.908063 0.405959
C 2.044927 2.620732 1.533497
C 2.104268 2.562277 -1.015998
C 1.977778 1.147051 1.921086
C 0.590731 0.537463 1.747409
C -0.808501 2.833506 -0.997109
C 1.361668 2.950557 -2.299968
C -0.084317 2.437852 -2.296073
C -1.501380 0.368691 0.391165
C -1.944237 -0.634396 -0.482397
C -2.441198 0.901966 1.296063
C 3.613696 -0.624107 1.487117
C -3.259417 -1.137965 -0.478187
C -3.750587 0.431411 1.318634
C -4.164989 -0.597283 0.423355
C 4.538649 -1.146096 0.415204
C 4.073321 -2.528162 -0.079867
C 0.065918 -1.707783 -1.198614
C 2.651286 -2.426841 -0.557947
C 0.289155 -2.393941 0.000301
C 1.072091 -1.507990 -2.156786
C 1.600805 -2.749840 0.315267
C 2.372795 -1.876235 -1.821205
C -6.021325 -1.957466 -0.308082
H 1.164389 4.095228 0.217539
H 0.520064 0.442120 -0.423004
H 3.103347 2.935687 1.445365
H 1.609334 3.213454 2.366031
H 2.292533 1.468258 -0.987115
H 3.102184 3.033420 -0.995829
H 2.351357 0.982465 2.960352
H -0.046142 0.877028 2.591545
H 0.650425 -0.566423 1.833999
H -0.927446 3.937819 -0.942747
H -1.836478 2.413216 -0.985415
H 1.899791 2.550364 -3.179404
H 1.365731 4.051825 -2.415505
H -0.633346 2.836749 -3.167840
H -0.097889 1.335072 -2.409676
H -2.148260 1.711241 1.972647
H -3.525299 -1.919603 -1.184998
H 4.582009 -0.429183 -0.433350
H 5.565880 -1.210711 0.830086
H 4.170637 -3.274138 0.736991
H 4.747184 -2.879388 -0.886416
H -5.516825 0.601318 2.156214
H -0.532236 -2.607862 0.680392
H 0.833423 -1.042766 -3.109977
H 1.811926 -3.242507 1.266031
H 3.182323 -1.697407 -2.527819
H -5.498971 -2.906434 -0.154159
H -5.956549 -1.618729 -1.346509
H -7.065523 -2.020801 0.024551


%chk=000191321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191321

0 1
O 3.015424 0.466610 0.952385
O -1.146480 -1.189947 -1.565139
O 3.474507 -1.094105 2.632626
O -4.662745 0.980337 2.266665
O -5.541891 -0.944026 0.603744
N -0.085800 2.421953 0.219138
C 1.292852 3.023207 0.211824
C -0.069222 0.926542 0.378906
C 2.051178 2.666160 1.509502
C 2.082422 2.709905 -1.094904
C 2.036994 1.175512 1.866931
C 0.628759 0.577351 1.722863
C -0.845327 2.904123 -0.972134
C 1.284080 3.182798 -2.335330
C -0.151654 2.602027 -2.326764
C -1.494833 0.361709 0.375574
C -1.949595 -0.655646 -0.505335
C -2.434710 0.885124 1.303615
C 3.667474 -0.655457 1.473218
C -3.281280 -1.133421 -0.475441
C -3.759053 0.429712 1.349441
C -4.186485 -0.589139 0.450069
C 4.614472 -1.275280 0.452618
C 4.123755 -2.699041 0.013540
C 0.094373 -1.788836 -1.225485
C 2.702420 -2.607972 -0.515705
C 0.297685 -2.468004 -0.004961
C 1.140891 -1.656358 -2.165433
C 1.605450 -2.866954 0.343214
C 2.439802 -2.062288 -1.799786
C -6.076821 -1.969848 -0.293824
H 1.128442 4.122640 0.227485
H 0.506579 0.444746 -0.437092
H 3.093731 3.029433 1.448859
H 1.562126 3.194398 2.351247
H 2.295232 1.627058 -1.160471
H 3.064942 3.221067 -1.054908
H 2.404986 1.007374 2.896146
H 0.018219 0.988691 2.549419
H 0.670393 -0.516294 1.854290
H -0.957779 4.002068 -0.860419
H -1.858349 2.468093 -0.946482
H 1.814209 2.901757 -3.265799
H 1.222413 4.292064 -2.325546
H -0.750614 3.034805 -3.152134
H -0.121459 1.506747 -2.493045
H -2.134171 1.701989 1.966784
H -3.566455 -1.912503 -1.186744
H 4.688845 -0.612357 -0.424966
H 5.613089 -1.364169 0.919639
H 4.175904 -3.375377 0.885440
H 4.826349 -3.078414 -0.751940
H -5.544888 0.540549 2.139706
H -0.538200 -2.621018 0.684999
H 0.937156 -1.179520 -3.129153
H 1.785487 -3.326045 1.322138
H 3.269443 -1.897676 -2.498576
H -5.543994 -2.930081 -0.156431
H -6.001271 -1.647973 -1.349896
H -7.133502 -2.085200 -0.012185


