%chk=000196452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196452

0 1
O -1.025061 2.859681 -0.357490
O 1.685831 3.456456 -0.073186
O 3.883872 -1.018990 0.703445
O -1.858262 -3.294001 -0.716280
N 0.735229 -2.906541 0.248096
C 0.326422 -0.500093 0.108764
C -0.608050 0.587455 -0.023254
C -2.047187 0.264716 -0.015237
C 1.705400 -0.243710 0.294776
C -0.088674 -1.877146 0.043067
C -2.470911 -1.073583 -0.172747
C -0.098443 1.882841 -0.127482
C -1.511194 -2.203975 -0.322387
C 2.198731 1.094551 0.253702
C 1.327331 2.124768 0.021465
C 2.572828 -1.367191 0.509867
C -3.033068 1.249272 0.183903
C -3.837512 -1.394324 -0.184288
C 2.057388 -2.662495 0.504009
C -4.389631 0.920938 0.183035
C -4.800596 -0.401525 -0.010969
C -0.598312 4.227994 -0.592792
C 3.093055 3.778150 0.072471
C 4.833993 -2.095537 0.920380
H 3.268348 1.246438 0.401507
H -2.750293 2.291485 0.354932
H -4.133479 -2.438440 -0.330904
H 2.667759 -3.550351 0.682125
H -5.133190 1.703310 0.335456
H -5.858598 -0.654080 -0.022254
H -0.139082 4.635794 0.314557
H -1.554369 4.715213 -0.820059
H 0.088219 4.271598 -1.444784
H 3.445299 3.499633 1.070195
H 3.082861 4.868534 -0.052119
H 3.677566 3.297039 -0.717456
H 4.867653 -2.753629 0.046704
H 4.585678 -2.641057 1.835769
H 5.774747 -1.541297 1.033861


%chk=000196452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196452

0 1
O -0.926873 3.071830 0.023001
O 1.711876 3.540677 0.337448
O 3.981874 -1.013348 0.557895
O -1.927496 -3.373581 -0.271169
N 0.776155 -2.880909 0.182352
C 0.326396 -0.458411 0.200989
C -0.614908 0.644915 0.124559
C -2.068171 0.330950 0.061735
C 1.737944 -0.200777 0.332580
C -0.090468 -1.837664 0.111142
C -2.492110 -1.034254 -0.068080
C -0.079972 1.960087 0.110591
C -1.531506 -2.179220 -0.095249
C 2.234554 1.132301 0.387699
C 1.340914 2.193322 0.273853
C 2.629831 -1.324210 0.416023
C -3.091413 1.323305 0.158638
C -3.870234 -1.361585 -0.146246
C 2.107434 -2.629586 0.345952
C -4.455886 0.981923 0.089843
C -4.857152 -0.365348 -0.076663
C -0.741499 3.989688 -1.126575
C 3.123904 3.837562 0.606941
C 4.933718 -2.128982 0.663930
H 3.307343 1.283209 0.518753
H -2.802632 2.363115 0.300982
H -4.126538 -2.420569 -0.251978
H 2.751827 -3.511894 0.411346
H -5.209617 1.773252 0.172761
H -5.918766 -0.628154 -0.135046
H 0.240962 4.484072 -1.073041
H -1.551327 4.728262 -1.029414
H -0.849385 3.432101 -2.075493
H 3.441619 3.396292 1.570263
H 3.179550 4.934313 0.660247
H 3.774251 3.465198 -0.207410
H 4.918007 -2.750676 -0.250662
H 4.711551 -2.755534 1.547783
H 5.918538 -1.653770 0.778117


