%chk=000198002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198002

0 1
S 2.813743 0.972800 -0.173922
O 3.847660 1.757712 -0.813220
O 2.498777 1.194660 1.219491
O -3.777798 -0.518768 -0.244563
N 1.432281 1.263944 -1.149736
N 4.029215 -2.795222 0.560124
C 3.122283 -0.733130 -0.423349
C 3.951608 -1.314900 0.727896
C 0.106501 0.832137 -0.836527
C -0.829151 0.743462 -1.895977
C -0.273004 0.481562 0.467611
C -2.476755 -0.078422 -0.336197
C -2.116840 0.292253 -1.650823
C -1.566255 0.013864 0.721279
C -4.280708 -0.902323 1.075331
C -5.714561 -1.305464 0.791900
H 2.181966 -1.330949 -0.513238
H 3.626543 -0.923131 -1.394316
H 1.495662 1.949471 -1.912608
H 4.951423 -0.825164 0.765271
H 3.446935 -1.102735 1.704092
H -0.538965 1.027490 -2.906364
H 0.422616 0.589317 1.308808
H -2.855984 0.215660 -2.446328
H -1.840417 -0.259066 1.735835
H 4.416200 -3.229241 1.392767
H 4.631136 -3.042830 -0.218661
H -3.667617 -1.738478 1.452638
H -4.206175 -0.028876 1.745481
H -6.227384 -1.628506 1.704491
H -6.283493 -0.471999 0.356128
H -5.760140 -2.127729 0.063886


%chk=000198002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198002

0 1
S 2.560377 -0.141487 0.562512
O 3.268421 0.958520 1.556743
O 1.854446 -1.476483 1.193826
O -4.154904 -0.793788 0.127661
N 1.187663 0.753970 -0.816669
N 6.103768 -1.960690 -0.781651
C 3.933624 -0.756134 -0.660862
C 5.046306 -1.499199 0.118019
C -0.147755 0.416224 -0.511380
C -0.629931 -0.871123 -0.907397
C -1.046687 1.304089 0.153124
C -2.850660 -0.328582 -0.043043
C -1.959400 -1.238475 -0.675552
C -2.390907 0.953173 0.367620
C -5.132040 0.086056 0.808391
C -6.450457 -0.679848 0.861148
H 3.383338 -1.397603 -1.367692
H 4.286394 0.166066 -1.150945
H 1.387335 1.747500 -0.566887
H 5.477385 -0.826263 0.879830
H 4.611582 -2.362522 0.651794
H 0.059411 -1.561126 -1.402356
H -0.681403 2.281307 0.493607
H -2.339950 -2.220645 -0.970638
H -3.060256 1.663282 0.860999
H 5.874417 -2.727935 -1.414269
H 6.720471 -1.250897 -1.178342
H -4.760735 0.323595 1.825760
H -5.234662 1.029881 0.235135
H -7.222802 -0.068745 1.362413
H -6.801824 -0.922700 -0.155984
H -6.331265 -1.622019 1.422286


