%chk=000272320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272320

0 1
S 2.074748 -0.468420 -1.901133
O 1.463524 -1.246088 -2.957388
O 3.171158 0.431416 -2.178378
N 0.745570 0.442695 -1.276041
N -1.595242 1.352805 -0.108240
C 2.502658 -1.497919 -0.592115
C 0.808426 1.550601 -0.410044
C 1.893582 -2.752498 -0.463821
C 3.465070 -1.095103 0.341319
C 3.193370 -3.188387 1.537842
C -0.381815 2.009637 0.245048
C 2.233541 -3.594822 0.593629
C 3.810033 -1.931770 1.401887
C 2.026740 2.213053 -0.151391
C -0.302242 3.098339 1.131175
C 2.072830 3.282387 0.738122
C 3.568967 -4.091335 2.663664
C 0.914261 3.727313 1.386011
C -3.884557 0.694017 0.194662
C -2.656503 1.394201 0.636342
C -4.857598 0.365303 1.155548
C -4.099659 0.362292 -1.152663
C -6.027955 -0.290047 0.768541
C -5.274938 -0.291178 -1.533333
C -6.239239 -0.618161 -0.575540
H -0.215087 0.183236 -1.576078
H 1.151716 -3.079944 -1.202118
H 3.957426 -0.121368 0.237497
H 1.756331 -4.568868 0.685779
H 4.559440 -1.611429 2.123416
H 2.938661 1.929840 -0.689137
H -1.207059 3.463052 1.617803
H 3.022757 3.785665 0.921972
H 2.745351 -4.752781 2.967548
H 4.411585 -4.740669 2.375987
H 3.882806 -3.539332 3.560873
H 0.961637 4.566824 2.074612
H -2.746105 1.909679 1.606816
H -4.700225 0.615786 2.203113
H -3.344083 0.615882 -1.899188
H -6.778518 -0.545823 1.514494
H -5.437427 -0.545905 -2.579754
H -7.153934 -1.127177 -0.874239


%chk=000272320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272320

0 1
S 1.144656 -1.018583 -0.981226
O 0.097968 -2.077616 -1.649032
O 1.873498 0.154448 -1.850910
N 0.128065 -0.287799 0.558401
N -1.993954 1.367438 0.193875
C 2.512029 -1.985317 -0.125567
C 0.310356 1.088193 0.822210
C 2.199750 -3.228614 0.448457
C 3.802346 -1.435504 -0.122903
C 4.570114 -3.431980 1.107161
C -0.820520 1.972519 0.695692
C 3.244842 -3.946287 1.066809
C 4.831834 -2.175730 0.502325
C 1.557482 1.596283 1.271088
C -0.663118 3.347293 1.021860
C 1.694092 2.961699 1.580114
C 5.679841 -4.224306 1.773771
C 0.584157 3.838423 1.453845
C -4.383939 1.251234 -0.260402
C -3.198452 1.861091 0.356824
C -5.669308 1.796939 0.014250
C -4.277184 0.128289 -1.131483
C -6.825755 1.231848 -0.562408
C -5.433169 -0.432962 -1.705286
C -6.710586 0.114962 -1.423142
H -0.854760 -0.436959 0.225116
H 1.181252 -3.625746 0.399363
H 3.993290 -0.476404 -0.615966
H 3.029666 -4.919783 1.522841
H 5.850537 -1.772012 0.513492
H 2.403402 0.910233 1.381819
H -1.504873 4.037943 0.897863
H 2.660807 3.349666 1.918131
H 5.433208 -4.449416 2.827896
H 5.838853 -5.193037 1.264094
H 6.636568 -3.675744 1.759571
H 0.700366 4.902800 1.684883
H -3.389834 2.754996 0.987039
H -5.756095 2.663424 0.682467
H -3.283765 -0.278393 -1.346323
H -7.811304 1.657562 -0.344730
H -5.344963 -1.295129 -2.375223
H -7.607397 -0.324963 -1.873558


