%chk=000256966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256966

0 1
S -0.524994 -1.031738 0.177482
O 0.912631 2.341106 -0.909412
O -3.221397 1.587101 0.688150
N -1.161062 1.824685 -0.197382
C 1.861555 -0.367968 -0.971159
C 0.358384 -0.008962 -1.025765
C 2.411116 -0.360479 0.468100
C -2.218833 -0.459073 -0.124037
C 2.107707 -1.709384 -1.665253
C 0.115881 1.448930 -0.711476
C 3.941070 -0.220822 0.487594
C -3.143604 -1.260473 0.795025
C -2.275847 1.021206 0.182555
C 4.486117 -0.230024 1.913727
C -3.400752 -2.668964 0.274570
H 2.396634 0.435948 -1.551581
H -0.023912 -0.212265 -2.059906
H 2.118161 -1.283076 1.005966
H 1.967377 0.478037 1.041798
H -2.509781 -0.619202 -1.193173
H 3.175559 -1.964106 -1.649322
H 1.795402 -1.693189 -2.714650
H 1.578272 -2.535745 -1.175095
H 4.238435 0.719729 -0.018499
H 4.404885 -1.040907 -0.094724
H -4.110043 -0.711271 0.894468
H -2.735634 -1.299920 1.827719
H -1.265852 2.837322 0.005895
H 4.076167 0.595564 2.507616
H 4.241099 -1.161629 2.436104
H 5.577059 -0.126271 1.920799
H -3.882759 -2.662497 -0.710041
H -2.475123 -3.251839 0.183149
H -4.062419 -3.220722 0.954759


%chk=000256966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256966

0 1
S -0.562209 -1.154880 0.367966
O 0.933759 2.372915 -0.683209
O -3.395028 1.591229 0.635914
N -1.212461 1.803583 -0.071181
C 1.870950 -0.346119 -0.917612
C 0.358751 -0.013712 -0.853817
C 2.544912 -0.286702 0.480913
C -2.286094 -0.482842 -0.081199
C 2.096231 -1.697004 -1.635739
C 0.081628 1.458159 -0.527008
C 4.090150 -0.328019 0.432880
C -3.379292 -1.271454 0.664187
C -2.358821 1.021094 0.203254
C 4.721675 -0.149551 1.830677
C -3.508087 -2.730171 0.181322
H 2.319353 0.461724 -1.531943
H -0.097937 -0.222840 -1.844103
H 2.174893 -1.125222 1.106987
H 2.239178 0.648946 0.988395
H -2.396918 -0.630425 -1.175810
H 3.172623 -1.887092 -1.786303
H 1.614809 -1.705774 -2.632081
H 1.677989 -2.536605 -1.050487
H 4.452229 0.474445 -0.241650
H 4.433966 -1.286948 -0.001890
H -4.332942 -0.731720 0.519188
H -3.171232 -1.238628 1.750594
H -1.335688 2.807696 0.117780
H 4.429765 0.820645 2.274354
H 4.389652 -0.947678 2.521325
H 5.825561 -0.181691 1.782215
H -3.761569 -2.772623 -0.894897
H -2.569343 -3.293330 0.328733
H -4.308952 -3.250301 0.736248


