%chk=000245183.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245183

0 1
S 1.206803 0.000430 0.114789
O 6.113633 0.033093 1.091813
O 5.676694 -0.018511 -1.128730
O -5.742598 1.120507 0.949731
O -5.744510 -1.040598 1.031676
N -5.216706 0.031583 0.782204
C -1.255651 -0.031875 -0.798696
C 0.128713 -0.054193 -1.355258
C 2.865676 -0.031878 -0.638778
C 3.849285 0.021728 0.517800
C -1.908160 1.195297 -0.581098
C -1.910306 -1.237886 -0.488803
C -3.844392 0.009689 0.236846
C -3.201070 1.221195 -0.063272
C -3.203223 -1.222203 0.029410
C 5.265952 0.008213 0.006002
C 7.539135 0.026909 0.809824
H 0.330101 -0.964947 -1.952954
H 0.331750 0.808492 -2.019981
H 3.004945 -0.948480 -1.244994
H 3.003601 0.826369 -1.325613
H 3.697306 0.931475 1.146382
H 3.705647 -0.832795 1.221224
H -1.399049 2.133025 -0.808585
H -1.402854 -2.191044 -0.644539
H -3.719753 2.170423 0.112584
H -3.723567 -2.154465 0.276639
H 7.979262 0.049530 1.812623
H 7.801766 0.914779 0.226214
H 7.801971 -0.886261 0.266740


%chk=000245183-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245183

0 1
S 1.232496 -0.021395 0.486916
O 6.385142 0.040064 1.024274
O 5.656883 0.045426 -1.189462
O -6.006594 1.234642 0.621515
O -6.077419 -1.045025 0.657476
N -5.457521 0.074114 0.478751
C -1.321803 -0.072799 -0.676896
C 0.131585 -0.122530 -1.076851
C 2.910935 -0.031904 -0.392085
C 4.016870 0.022974 0.670796
C -1.976865 1.175322 -0.497714
C -2.052269 -1.271078 -0.457707
C -4.028166 0.023532 0.084824
C -3.330714 1.234813 -0.118478
C -3.407460 -1.234083 -0.078044
C 5.400516 0.036551 0.036169
C 7.787865 0.059863 0.537617
H 0.382140 -1.064775 -1.591864
H 0.406972 0.731752 -1.718083
H 2.989479 -0.951116 -0.995990
H 2.965982 0.839900 -1.064739
H 3.915863 0.925212 1.303831
H 3.954634 -0.841559 1.358139
H -1.416890 2.103560 -0.654861
H -1.552061 -2.237275 -0.585073
H -3.852059 2.185285 0.020940
H -3.986409 -2.145510 0.091455
H 8.400097 0.046928 1.449706
H 7.972719 0.972077 -0.053980
H 7.986453 -0.825363 -0.089380


