%chk=000207054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207054

0 1
S 1.641117 1.504613 0.039704
O 2.768671 2.025401 -0.702895
O 1.349695 1.976788 1.380928
N 0.231704 1.947261 -0.895841
N -0.894618 2.450977 -0.189293
C 1.647736 -0.209239 -0.005846
C 2.633051 -0.882220 -0.740300
C 0.675300 -0.940550 0.688001
C 1.674062 -3.012693 -0.086260
C 2.649875 -2.275003 -0.781049
C 0.686520 -2.334231 0.649869
C -1.947354 1.478655 -0.014498
C 1.696160 -4.503287 -0.115647
C -2.803326 1.631087 1.096407
C -2.207276 0.482263 -0.973803
C -3.918627 0.802798 1.222934
C -3.323662 -0.340964 -0.824138
C -4.182104 -0.186264 0.269499
H 3.397025 -0.311294 -1.283196
H -0.099250 -0.423318 1.265224
H 0.378225 2.540330 -1.736066
H 3.420483 -2.791407 -1.350847
H -0.072636 -2.896122 1.191899
H -0.621443 2.898584 0.713914
H 0.690307 -4.941077 -0.043104
H 2.152836 -4.902627 -1.032174
H 2.279187 -4.899751 0.731428
H -2.607090 2.394628 1.846024
H -1.544952 0.364038 -1.830260
H -4.586447 0.927143 2.074945
H -3.528825 -1.108575 -1.569562
H -5.051845 -0.828945 0.376204


%chk=000207054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207054

0 1
S 0.634084 -1.151979 -3.019296
O 1.183459 0.429508 -3.056638
O -1.071216 -1.118854 -2.447716
N -0.420719 2.018328 -1.436143
N -1.317665 1.125819 -1.191678
C 1.450850 -1.795479 -1.429913
C 2.557837 -1.097315 -0.917243
C 0.954121 -2.963588 -0.821095
C 2.713914 -2.762092 0.896866
C 3.182630 -1.588147 0.251247
C 1.594040 -3.440079 0.344319
C -2.398018 1.457524 -0.300921
C 3.375972 -3.266148 2.166913
C -3.353728 0.435752 -0.075163
C -2.518901 2.725422 0.326338
C -4.442538 0.684017 0.787628
C -3.608256 2.961090 1.185076
C -4.570301 1.943919 1.417824
H 2.900428 -0.185400 -1.419194
H 0.076783 -3.476487 -1.229211
H 0.295627 1.563980 -2.107991
H 4.047001 -1.054191 0.663631
H 1.217824 -4.347042 0.832562
H -1.225810 -0.204938 -1.850944
H 3.321881 -4.366212 2.244598
H 4.438449 -2.970554 2.215060
H 2.877510 -2.848937 3.063471
H -3.233827 -0.531621 -0.576205
H -1.760882 3.488720 0.125070
H -5.186702 -0.098726 0.967450
H -3.715561 3.934381 1.675998
H -5.415788 2.136329 2.087500


