%chk=000229601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229601

0 1
S 0.964092 0.105487 -0.229640
O 0.523982 1.217948 0.594889
O 1.021363 0.251752 -1.669731
N -0.092490 -1.233668 0.065234
C 2.500012 -0.488752 0.397747
C 3.505819 0.656060 0.616078
C 3.193765 -1.461682 -0.571812
C 4.901212 0.024702 0.442599
C 4.706743 -1.297888 -0.324798
C -1.158467 -1.051125 1.085101
C -2.426111 -0.455253 0.515096
C -2.546118 0.935013 0.377287
C -3.482029 -1.289230 0.122540
C -3.717890 1.485614 -0.146965
C -4.653343 -0.733547 -0.400964
C -4.773108 0.653150 -0.535676
H 2.342721 -1.013039 1.373981
H 3.383116 1.116333 1.612133
H 3.367580 1.472282 -0.119220
H 2.955482 -1.216477 -1.628173
H 2.863826 -2.500947 -0.406194
H 5.371342 -0.160348 1.423579
H 5.576131 0.707178 -0.100715
H 5.259538 -1.289816 -1.279432
H 5.103880 -2.147200 0.256585
H -0.468667 -1.695608 -0.777317
H -0.779227 -0.413807 1.920706
H -1.362165 -2.052814 1.534192
H -1.713653 1.586185 0.672648
H -3.395195 -2.368880 0.224601
H -3.806793 2.565675 -0.255069
H -5.472647 -1.382376 -0.704579
H -5.685003 1.084378 -0.943910


%chk=000229601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229601

0 1
S 0.989375 0.258786 0.067265
O 0.599485 1.357324 1.218481
O 0.996168 0.666766 -1.514611
N -0.145635 -1.249808 0.303693
C 2.721185 -0.491113 0.531084
C 3.770003 0.629847 0.631166
C 3.208272 -1.465756 -0.560327
C 5.087799 -0.175037 0.467030
C 4.761888 -1.251182 -0.614881
C -1.291804 -0.969013 1.231112
C -2.551270 -0.441762 0.556294
C -2.666878 0.932024 0.216909
C -3.615248 -1.323551 0.235519
C -3.824665 1.409431 -0.435646
C -4.774161 -0.845962 -0.418466
C -4.880465 0.522944 -0.755921
H 2.487242 -0.965903 1.497815
H 3.703198 1.199542 1.571451
H 3.650665 1.336162 -0.213250
H 2.750553 -1.197302 -1.530821
H 2.922496 -2.504126 -0.327630
H 5.353862 -0.659596 1.425343
H 5.932358 0.474170 0.178444
H 5.058682 -0.892468 -1.616097
H 5.309181 -2.191031 -0.427750
H -0.470755 -1.445278 -0.665478
H -0.922049 -0.247387 1.984904
H -1.494058 -1.924188 1.751606
H -1.846212 1.616489 0.464883
H -3.538820 -2.385227 0.504233
H -3.904242 2.471388 -0.693441
H -5.590559 -1.536010 -0.659940
H -5.777889 0.896128 -1.262172


