%chk=000210807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210807

0 1
S 1.951445 0.170206 -1.609457
O -0.769432 -1.698575 -1.208619
N -1.448252 0.186223 -0.105902
N 3.043355 -0.217038 0.739742
N 4.577671 0.650766 -0.914807
C -2.902223 -0.160517 -0.278908
C -1.119543 1.472209 0.584395
C -0.467269 -0.691330 -0.583071
C -3.220998 -1.481706 0.430202
C -3.262064 -0.222091 -1.767144
C -1.505223 1.389229 2.068111
C -1.810012 2.652766 -0.110951
C 0.941383 -0.357999 -0.304594
C 1.669939 -0.522554 0.850748
C 1.156684 -0.996073 2.155862
C 3.353469 0.175825 -0.500107
H -3.498835 0.659676 0.204231
H -0.008788 1.637849 0.516304
H -4.286145 -1.720222 0.361039
H -2.669038 -2.318047 -0.030836
H -2.944318 -1.453716 1.487737
H -3.022799 0.712796 -2.282260
H -4.325912 -0.430141 -1.910279
H -2.699167 -1.024681 -2.273425
H -1.239925 2.311607 2.595421
H -2.578172 1.224888 2.213220
H -0.976875 0.556653 2.562664
H -1.575773 2.672638 -1.182662
H -1.477626 3.604615 0.317602
H -2.901328 2.615734 -0.018297
H 0.230398 -0.462116 2.447150
H 0.914812 -2.071382 2.112866
H 1.893144 -0.862257 2.965023
H 5.362697 0.522482 -0.283685
H 4.813320 0.582285 -1.894611


%chk=000210807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210807

0 1
S 1.636974 0.997189 -1.022138
O -0.832308 -1.945886 -0.199835
N -1.511666 0.277357 0.055799
N 3.236515 -0.563059 0.464337
N 4.431528 1.063655 -0.815949
C -2.938913 -0.078733 -0.252898
C -1.244550 1.640588 0.614410
C -0.533273 -0.711326 -0.033877
C -3.550350 -1.063369 0.774739
C -3.090659 -0.588297 -1.705268
C -2.017259 1.877688 1.936159
C -1.525888 2.756195 -0.419567
C 0.907977 -0.322189 0.044323
C 1.926037 -1.015850 0.696519
C 1.742254 -2.183963 1.628091
C 3.278694 0.445004 -0.393820
H -3.493724 0.875534 -0.177685
H -0.169045 1.662370 0.859687
H -4.625399 -1.206171 0.556484
H -3.039783 -2.036958 0.715969
H -3.456489 -0.676094 1.804723
H -2.692425 0.149967 -2.424481
H -4.160588 -0.752012 -1.930778
H -2.554263 -1.540860 -1.840667
H -1.724546 2.854519 2.362690
H -3.111042 1.895631 1.779925
H -1.783008 1.092213 2.675728
H -0.931029 2.601292 -1.336461
H -1.257333 3.740617 0.005285
H -2.594526 2.793857 -0.701121
H 0.680085 -2.441229 1.743570
H 2.267955 -3.067984 1.224044
H 2.188895 -1.957054 2.613243
H 5.317780 0.709225 -0.462406
H 4.421974 1.826135 -1.486070


