%chk=000188058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188058

0 1
S -0.736003 -1.036512 1.558712
P -2.635380 -0.685650 0.823980
O -2.580808 -1.431370 -0.643887
O -2.417567 0.884948 0.396345
O -3.786762 -1.052382 1.675338
N 4.147254 0.116141 0.213459
C 2.718069 0.316569 -0.221923
C 1.775342 -0.550521 0.671746
C 2.367393 1.814148 -0.059000
C 2.192823 -2.032040 0.625104
C 4.558130 -1.325775 0.129992
C 5.085969 0.939123 -0.625067
C 3.659229 -2.175339 1.038094
C 3.296541 2.698919 -0.895140
C 4.752033 2.433072 -0.496305
C 0.328772 -0.384636 0.203170
C -3.677393 -2.344066 -0.986137
C -3.594006 1.696880 0.067123
C -3.002256 -3.328775 -1.931918
C -4.783606 -1.531564 -1.648876
C -4.355190 2.034569 1.339958
C -2.962251 2.915301 -0.596021
H 2.573339 0.019443 -1.291893
H 1.885825 -0.183233 1.725319
H 1.311074 1.986579 -0.342112
H 2.451617 2.095170 1.010774
H 1.551765 -2.634085 1.298263
H 2.037637 -2.446581 -0.388591
H 4.534395 -1.723499 -0.907527
H 5.610981 -1.395561 0.481420
H 5.075965 0.641955 -1.696118
H 6.116159 0.759942 -0.246391
H 3.973030 -3.233986 0.995086
H 3.787647 -1.854633 2.092196
H 3.150813 2.501254 -1.973614
H 3.046180 3.765008 -0.741814
H 4.916581 2.757151 0.551390
H 5.443737 3.026376 -1.120442
H 0.129639 -0.936602 -0.735201
H 0.076454 0.682816 0.019802
H -4.044757 -2.854157 -0.063422
H -4.226138 1.132538 -0.656325
H -3.698286 -4.098981 -2.278223
H -2.157460 -3.826673 -1.437391
H -2.591359 -2.816372 -2.811584
H -5.452819 -2.172711 -2.234672
H -5.407005 -1.007921 -0.913229
H -4.366882 -0.783043 -2.335382
H -3.683039 2.419996 2.119076
H -4.858856 1.154926 1.774796
H -5.122485 2.794688 1.161936
H -2.376507 2.622398 -1.476472
H -2.267707 3.419578 0.089801
H -3.717575 3.642779 -0.908304


%chk=000188058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188058

0 1
S -0.843639 -1.474324 1.543562
P -2.832670 -0.619335 0.857732
O -2.952091 -0.954845 -0.850085
O -2.450455 1.058748 0.738685
O -4.083461 -1.077411 1.731527
N 4.105064 0.069230 0.248644
C 2.681050 0.175243 -0.196496
C 1.752222 -0.608586 0.791583
C 2.273256 1.668096 -0.293698
C 2.231023 -2.071654 0.963353
C 4.564132 -1.337887 0.372790
C 5.034335 0.827321 -0.631713
C 3.711511 -2.118668 1.383387
C 3.229785 2.491475 -1.181952
C 4.681286 2.322162 -0.692035
C 0.291633 -0.547153 0.303052
C -3.390342 -2.328399 -1.287529
C -3.455230 2.012600 0.129858
C -2.824749 -2.482756 -2.702205
C -4.919758 -2.439632 -1.211978
C -4.584610 2.287629 1.132445
C -2.625466 3.247780 -0.226469
H 2.566148 -0.290618 -1.217393
H 1.822420 -0.098805 1.774179
H 1.245418 1.746054 -0.693063
H 2.264578 2.089588 0.731447
H 1.601234 -2.591010 1.711243
H 2.098232 -2.612104 0.001875
H 4.526971 -1.862306 -0.620580
H 5.622665 -1.322141 0.694370
H 5.028579 0.409274 -1.675049
H 6.058106 0.692188 -0.233855
H 4.065924 -3.165600 1.440383
H 3.833094 -1.666422 2.386208
H 3.154390 2.141290 -2.232728
H 2.931665 3.557089 -1.175453
H 4.789623 2.760511 0.318758
H 5.389772 2.843526 -1.364125
H 0.166784 -1.032942 -0.679694
H -0.100696 0.478479 0.267317
H -2.919253 -3.066930 -0.605430
H -3.851824 1.533559 -0.786776
H -3.090304 -3.475820 -3.108726
H -1.725817 -2.384289 -2.698907
H -3.244721 -1.708647 -3.368226
H -5.242259 -3.439718 -1.556966
H -5.271193 -2.293853 -0.176454
H -5.391240 -1.679699 -1.860647
H -4.175401 2.725215 2.059815
H -5.120568 1.358749 1.393781
H -5.308676 3.001456 0.696796
H -1.819140 2.987274 -0.933148
H -2.173052 3.679891 0.683143
H -3.271989 4.012727 -0.694653


