%chk=000293068.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293068

0 1
S 0.548535 1.381119 -0.001126
O 1.304882 2.502038 -0.514867
O 0.352906 1.206543 1.415027
N -0.978636 1.557058 -0.775939
N -5.461809 -1.782003 0.061322
C 1.129986 -0.121395 -0.711627
C 2.521751 -0.427469 -0.252279
C -2.127936 0.755719 -0.506088
C 2.779443 -1.588538 0.491437
C 3.576857 0.438459 -0.584488
C -3.155635 0.710897 -1.471609
C -2.244957 0.000488 0.675748
C 4.085565 -1.881322 0.895823
C 4.877733 0.138399 -0.176354
C -4.272677 -0.093141 -1.267834
C -3.357276 -0.812229 0.874481
C -4.378039 -0.871219 -0.096328
C 5.136066 -1.022162 0.561664
H 0.441822 -0.967468 -0.485308
H 1.114490 -0.079435 -1.825624
H -1.151219 2.384683 -1.359244
H 1.967426 -2.260379 0.762456
H 3.380770 1.357208 -1.144779
H -3.078782 1.302760 -2.381869
H -1.486453 0.065132 1.465187
H 4.281952 -2.782034 1.475976
H 5.693186 0.814583 -0.431650
H -5.056599 -0.128274 -2.021391
H -3.433288 -1.402040 1.786306
H 6.151510 -1.251998 0.878358
H -5.678088 -2.025684 1.019127
H -6.302886 -1.536295 -0.443912


%chk=000293068-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293068

0 1
S 0.546740 1.598094 0.290460
O 1.488133 2.911502 0.083417
O 0.435708 0.882994 1.750824
N -1.434652 2.178963 -0.176209
N -5.190768 -2.047480 -0.010929
C 1.228894 0.126376 -1.023911
C 2.524524 -0.383172 -0.535854
C -2.336739 1.100932 -0.194168
C 2.571832 -1.448322 0.408079
C 3.743178 0.209715 -0.973785
C -2.900528 0.548334 -1.389133
C -2.732355 0.539330 1.062869
C 3.810518 -1.924717 0.881773
C 4.980023 -0.270182 -0.498517
C -3.857527 -0.473828 -1.332894
C -3.661761 -0.504543 1.121485
C -4.251081 -1.025479 -0.073559
C 5.017661 -1.340348 0.427738
H 0.382696 -0.574261 -0.975516
H 1.260445 0.708919 -1.956120
H -1.288499 2.600126 -1.117893
H 1.635536 -1.882643 0.775721
H 3.711220 1.050917 -1.675623
H -2.597261 0.952800 -2.363980
H -2.287948 0.950870 1.973539
H 3.839001 -2.742983 1.609469
H 5.912814 0.191237 -0.840385
H -4.303013 -0.861252 -2.257162
H -3.951928 -0.921383 2.093356
H 5.979837 -1.710236 0.799356
H -5.471085 -2.443272 0.882342
H -5.623016 -2.415007 -0.854196


