%chk=000234481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234481

0 1
S 4.127060 1.166226 0.941643
O -3.895667 -0.775813 0.187209
O -3.172334 1.369499 0.375583
N -0.580406 0.264163 -0.415218
N 0.996210 1.812615 0.213081
N 0.855749 -1.794625 -0.310160
N 3.149160 -1.270259 0.361466
C 0.600547 -0.451585 -0.194167
C -1.854933 -0.310439 -0.845101
C 1.584553 0.537780 0.194396
C -0.279781 1.641322 -0.144388
C 2.882297 0.049114 0.468121
C -3.010287 0.241224 -0.019521
C 2.135589 -2.130684 -0.019118
C -5.136994 -0.479828 0.915987
C -6.104005 0.249665 0.011202
C 5.585335 0.139515 1.183983
H -2.045790 -0.082511 -1.925211
H -1.812793 -1.433539 -0.767208
H -1.049207 2.407387 -0.211609
H 2.408562 -3.196573 -0.090165
H -5.462352 -1.504732 1.175767
H -4.877558 0.095275 1.822603
H -7.092575 0.346361 0.478533
H -5.752069 1.267155 -0.217679
H -6.240590 -0.271960 -0.945093
H 5.870661 -0.392134 0.265692
H 5.427608 -0.620738 1.961563
H 6.412511 0.792917 1.488311


%chk=000234481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234481

0 1
S 4.210295 1.329262 0.793225
O -4.020265 -0.858898 -0.138142
O -2.885199 0.816972 1.034555
N -0.549029 0.271773 -0.534348
N 1.024037 1.890318 -0.096115
N 0.823380 -1.749454 -0.136143
N 3.121602 -1.189501 0.505772
C 0.626553 -0.406121 -0.196709
C -1.813171 -0.376207 -0.865475
C 1.593476 0.613595 0.067296
C -0.249552 1.642717 -0.447233
C 2.886866 0.153129 0.431101
C -2.929237 -0.046907 0.134382
C 2.101865 -2.062178 0.225029
C -5.243807 -0.653037 0.708667
C -6.114403 0.468236 0.137974
C 5.608960 0.133442 1.189954
H -2.155972 -0.088327 -1.876649
H -1.639109 -1.466558 -0.874731
H -0.999309 2.407731 -0.633404
H 2.344457 -3.125656 0.300396
H -5.744973 -1.632625 0.669743
H -4.917024 -0.430094 1.739200
H -7.049559 0.542137 0.723172
H -5.597170 1.440460 0.197786
H -6.382648 0.265247 -0.913036
H 5.815257 -0.500310 0.316754
H 5.328530 -0.495149 2.046022
H 6.473650 0.770802 1.431462


