%chk=000273056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273056

0 1
S -6.584950 -2.129267 1.012666
S 7.661658 1.319387 -1.286657
P -5.974573 -0.516729 0.130479
P 6.207687 0.797664 -0.120477
N -6.912783 -0.048844 -1.287541
N -6.030870 0.912623 1.165171
N 6.571533 -0.559983 0.949340
N 5.669624 2.066242 0.980755
N -4.333414 -0.577440 -0.494517
N 4.787195 0.325730 -1.030147
C -7.948765 1.030583 -1.225734
C -8.359123 -0.415564 -1.390145
C -5.781453 0.777863 2.633178
C -4.783562 1.495804 1.751465
C 7.618874 -1.551208 0.551067
C 6.161217 -1.952583 0.583329
C 6.640767 3.094406 1.466545
C 6.066356 2.074485 2.424316
C -3.756541 -1.954814 -0.609512
C 3.494309 0.353361 -0.279238
C -2.398602 -1.893782 -1.329266
C 2.426131 -0.353565 -1.132290
C -1.328348 -1.179337 -0.494635
C 1.085416 -0.415467 -0.390821
C 0.014329 -1.120314 -1.234274
H -7.947860 1.707827 -2.087691
H -8.163941 1.576090 -0.299852
H -8.884677 -0.950359 -0.589379
H -8.659576 -0.799105 -2.372852
H -5.537514 -0.183884 3.100552
H -6.475621 1.347202 3.263516
H -4.745224 2.591217 1.736317
H -3.794788 1.065229 1.557070
H 8.294043 -1.846718 1.363136
H 8.165034 -1.477104 -0.398394
H 5.619400 -2.173231 -0.343740
H 5.767993 -2.543660 1.418409
H 6.255928 4.121521 1.452558
H 7.701358 3.076689 1.187005
H 6.696838 1.290522 2.858566
H 5.260712 2.353893 3.112988
H -4.196858 -0.049645 -1.383063
H 4.694146 0.792723 -1.956066
H -3.618914 -2.367550 0.419682
H -4.416840 -2.671209 -1.153095
H 3.158575 1.387803 -0.032139
H 3.612141 -0.183672 0.690492
H -2.071835 -2.929352 -1.553712
H -2.506418 -1.398414 -2.313946
H 2.771086 -1.375001 -1.390142
H 2.301232 0.169640 -2.100100
H -1.673147 -0.156178 -0.244489
H -1.205360 -1.695786 0.477133
H 1.210288 -0.944282 0.574315
H 0.747260 0.607358 -0.133292
H -0.109967 -0.594745 -2.200858
H 0.350291 -2.144072 -1.489787


%chk=000273056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273056

0 1
S -5.249067 -1.361251 1.899218
S 7.608047 0.989622 -0.693820
P -5.333932 -0.380413 0.041283
P 5.737886 0.730884 0.227384
N -6.948836 -0.007165 -0.653095
N -4.627089 1.277704 -0.026769
N 5.295996 -0.937640 0.747138
N 5.441454 1.573478 1.785027
N -4.598040 -1.239256 -1.248125
N 4.427680 1.248040 -0.746608
C -8.056240 0.416709 0.294181
C -8.076470 -0.967267 -0.326300
C -4.787929 2.164315 1.198728
C -3.439627 1.553500 0.878226
C 6.404863 -1.828294 1.278875
C 5.829045 -2.077721 -0.100966
C 6.125483 2.911300 1.982823
C 6.598709 1.696747 2.758480
C -3.783555 -2.460099 -1.119023
C 3.005407 1.167365 -0.355646
C -2.333196 -2.292924 -1.630552
C 2.235983 0.021156 -1.049696
C -1.516047 -1.231896 -0.863790
C 0.754474 -0.035442 -0.614745
C -0.047770 -1.142311 -1.335847
H -8.698946 1.210172 -0.097586
H -7.822085 0.468544 1.365872
H -7.848382 -1.811798 0.337659
H -8.734227 -1.181527 -1.173369
H -5.317945 1.747299 2.065781
H -4.993462 3.212590 0.963445
H -2.656899 2.156529 0.408607
H -3.098845 0.739967 1.532734
H 6.107469 -2.452770 2.126215
H 7.420983 -1.412494 1.313721
H 6.468707 -1.819590 -0.955827
H 5.109694 -2.886226 -0.260241
H 5.495865 3.663548 2.466312
H 6.781701 3.270061 1.178474
H 7.567787 1.274789 2.459248
H 6.316416 1.562154 3.806547
H -4.761822 -0.864282 -2.185700
H 4.662681 1.515898 -1.703324
H -3.779320 -2.735654 -0.047034
H -4.276684 -3.289957 -1.665502
H 2.521243 2.139695 -0.581232
H 2.968264 1.035980 0.740498
H -1.834555 -3.281251 -1.548422
H -2.347228 -2.040269 -2.711653
H 2.739461 -0.934256 -0.805268
H 2.295797 0.147774 -2.150878
H -2.004303 -0.244538 -0.984268
H -1.541155 -1.464994 0.221342
H 0.701384 -0.200746 0.481509
H 0.271325 0.946409 -0.807086
H -0.022562 -0.957099 -2.430492
H 0.452313 -2.120103 -1.174262


