%chk=000184701.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184701

0 1
S 1.807151 -1.203752 -0.888641
O 0.959554 -2.033171 -0.057722
O 1.546612 -1.277060 -2.308403
O -0.634677 1.038622 1.525039
N 1.240538 0.484800 -0.507402
N -0.131214 0.714247 -0.702865
C 2.051440 1.491104 -0.015609
C 4.036802 -0.028522 0.002512
C 3.388180 -1.144393 -0.456105
C 3.396709 1.224216 0.192979
C 1.476820 2.828806 0.295447
C -2.423971 0.437952 0.012628
C -1.019226 0.730902 0.418440
C 5.493154 -0.099567 0.341184
C -2.944539 -0.852311 0.238621
C -3.215147 1.444721 -0.556261
C -4.276513 -1.111671 -0.132968
C -2.107061 -1.908138 0.864780
C -4.534186 1.171496 -0.916140
C -5.060316 -0.110126 -0.704059
H 3.953116 -2.076897 -0.545243
H 4.013888 2.045907 0.558179
H -0.459242 0.363241 -1.619425
H 2.240721 3.581144 0.530431
H 0.803847 2.757579 1.178050
H 0.862322 3.223686 -0.528936
H 5.936437 -1.085446 0.145994
H 5.662570 0.124294 1.406055
H 6.073823 0.634897 -0.237542
H -2.798248 2.439619 -0.713277
H -4.695773 -2.103382 0.030356
H -1.803147 -1.628776 1.887649
H -2.605888 -2.882116 0.930584
H -1.155038 -2.085227 0.318407
H -5.153427 1.949096 -1.357758
H -6.091474 -0.324076 -0.986980


%chk=000184701-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184701

0 1
S 1.925613 -1.018150 -1.585291
O 0.732091 -2.037672 -1.127679
O 2.239945 -0.910240 -3.174609
O -0.182621 0.351349 1.260949
N 1.262876 0.876901 -1.104981
N -0.116244 0.879205 -1.014363
C 2.038053 1.665031 -0.255215
C 3.923106 -0.014471 0.078866
C 3.411464 -1.132894 -0.544921
C 3.321963 1.299091 0.139322
C 1.429865 2.986808 0.173850
C -2.271949 0.266581 -0.032944
C -0.803024 0.477503 0.172520
C 5.226821 -0.196971 0.846576
C -2.895559 -0.918009 0.467961
C -3.029978 1.254317 -0.714960
C -4.289405 -1.062294 0.257938
C -2.100776 -2.006142 1.164032
C -4.418643 1.090171 -0.902343
C -5.048057 -0.075879 -0.412615
H 3.774056 -2.157742 -0.444242
H 3.888777 2.060640 0.683719
H -0.605011 0.796837 -1.911126
H 2.222114 3.660928 0.536897
H 0.712433 2.823790 0.998218
H 0.896605 3.475021 -0.659828
H 5.601021 -1.232307 0.795412
H 5.092071 0.075370 1.909009
H 6.003618 0.468276 0.425473
H -2.538064 2.168099 -1.069763
H -4.784557 -1.969273 0.623385
H -1.695385 -1.646516 2.126117
H -2.732001 -2.890516 1.353691
H -1.231511 -2.317513 0.554665
H -5.000016 1.861603 -1.418003
H -6.125091 -0.219234 -0.553719


