%chk=000187467.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187467

0 1
O 4.088459 0.248554 1.200891
O 3.902320 -2.720144 -0.056615
O 1.095921 -2.393184 -0.287032
N -2.065062 1.684592 -0.268025
C 4.217746 -0.305251 -0.144754
C 3.548717 1.030865 0.077746
C 3.310783 -1.481302 -0.446815
C 2.066372 1.110086 -0.010628
C 1.929933 -1.359865 0.261920
C 1.267533 -0.011179 0.056532
C -0.172106 0.128659 0.002130
C 1.497620 2.422403 -0.183294
C -0.727663 1.446930 -0.186028
C 0.153758 2.591684 -0.280288
C -1.081206 -0.934053 0.135138
C -2.461492 -0.707929 0.056796
C -2.925864 0.636874 -0.156172
C -3.436977 -1.763923 0.178200
C -4.349430 0.889152 -0.246676
C -4.768558 -1.489283 0.088984
C -5.229831 -0.142068 -0.127103
H 5.248401 -0.388931 -0.498631
H 4.106083 1.957770 -0.096067
H 3.174630 -1.609553 -1.550938
H 2.035114 -1.550905 1.359856
H 2.173842 3.277049 -0.233946
H 4.232874 -2.675312 0.870835
H -0.305981 3.572785 -0.420880
H 1.611997 -3.237982 -0.335708
H -0.716498 -1.957517 0.299877
H -3.074560 -2.779104 0.339075
H -4.669951 1.919210 -0.410698
H -5.515150 -2.277202 0.177357
H -6.305175 0.025874 -0.192041


%chk=000187467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187467

0 1
O 4.176518 0.251831 1.227254
O 3.958028 -2.769465 -0.018940
O 1.181797 -2.544125 -0.140337
N -2.098181 1.720321 -0.232061
C 4.236771 -0.302182 -0.183489
C 3.555312 1.010757 0.036191
C 3.339744 -1.487415 -0.431200
C 2.071285 1.106389 -0.035358
C 1.962472 -1.372897 0.280902
C 1.254648 -0.040397 0.024757
C -0.186615 0.115174 -0.028934
C 1.498374 2.418052 -0.173989
C -0.753246 1.462996 -0.173316
C 0.127096 2.595901 -0.247131
C -1.115582 -0.957107 0.063926
C -2.507785 -0.710117 0.013400
C -2.966837 0.665335 -0.141572
C -3.483957 -1.765270 0.103059
C -4.380447 0.928235 -0.199625
C -4.843710 -1.476861 0.044172
C -5.294335 -0.117517 -0.108307
H 5.244241 -0.340226 -0.614389
H 4.109377 1.928012 -0.194938
H 3.171283 -1.614835 -1.515485
H 2.160506 -1.437564 1.375886
H 2.169267 3.284154 -0.217613
H 4.307489 -2.663572 0.904514
H -0.331656 3.583001 -0.351682
H 1.817720 -3.310387 -0.109147
H -0.738857 -1.978152 0.155363
H -3.135157 -2.798577 0.216810
H -4.697260 1.969202 -0.315764
H -5.582021 -2.283179 0.112501
H -6.369682 0.088285 -0.152461


