%chk=000185211.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185211

0 1
S 3.035586 0.486983 -0.757921
O 1.668859 0.623362 1.505004
N 0.788802 1.849305 -0.234357
C -1.723327 1.533729 -0.031654
C -0.443125 2.210138 0.515312
C -1.645102 0.021352 -0.074260
C -2.920275 1.956096 0.830731
C -1.046759 -0.717569 0.955813
C -2.219984 -0.655944 -1.162146
C 0.841434 2.175889 -1.675836
C 1.693550 0.983802 0.346280
C -1.023162 -2.113696 0.897900
C -2.195799 -2.051905 -1.215594
C -1.598509 -2.784834 -0.185352
C 4.036998 -0.573571 0.345986
C 4.049072 -1.977159 -0.212074
H -1.890877 1.911197 -1.073677
H -0.559478 3.316376 0.477499
H -0.293184 1.943322 1.590805
H -3.050464 3.042762 0.845448
H -2.811732 1.616353 1.868371
H -3.850742 1.516293 0.449753
H -0.574227 -0.207019 1.798486
H -2.689799 -0.096558 -1.967874
H 1.825359 2.608774 -1.939590
H 0.078812 2.929658 -1.930617
H 0.665120 1.285243 -2.306570
H -0.550402 -2.677864 1.700567
H -2.643046 -2.569405 -2.062091
H -1.579743 -3.871194 -0.227631
H 5.050788 -0.134408 0.398810
H 3.610208 -0.543054 1.374862
H 3.039567 -2.412271 -0.253222
H 4.461042 -2.022784 -1.228890
H 4.659040 -2.643401 0.414230


%chk=000185211-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185211

0 1
S 3.220303 0.629653 -0.979163
O 1.886230 0.716273 1.437100
N 0.802791 1.791863 -0.338180
C -1.702381 1.485197 0.022944
C -0.370409 2.129685 0.499686
C -1.644172 -0.036762 -0.130315
C -2.831031 1.899335 1.008547
C -1.000350 -0.867097 0.823931
C -2.300134 -0.653361 -1.226767
C 0.764363 2.184661 -1.756421
C 1.835393 1.069068 0.225060
C -1.018305 -2.272767 0.683667
C -2.322498 -2.059163 -1.369187
C -1.680957 -2.876060 -0.410398
C 4.255277 -0.408133 0.223846
C 3.795128 -1.870648 0.270929
H -1.955599 1.912961 -0.969100
H -0.498104 3.231789 0.504833
H -0.132023 1.817928 1.529850
H -2.904592 3.000376 1.093401
H -2.639339 1.487206 2.016378
H -3.807435 1.512845 0.668157
H -0.460249 -0.423210 1.667749
H -2.800320 -0.025305 -1.976036
H 1.780256 2.394934 -2.130168
H 0.168684 3.109409 -1.853167
H 0.310450 1.399523 -2.390426
H -0.509408 -2.896821 1.427292
H -2.834310 -2.514034 -2.225107
H -1.691846 -3.966623 -0.517356
H 5.291770 -0.297562 -0.136668
H 4.146610 0.078266 1.206921
H 2.750891 -1.932360 0.622075
H 3.859804 -2.349306 -0.721870
H 4.430012 -2.443762 0.974463


