%chk=000253645.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253645

0 1
O 0.772823 0.643053 1.337215
O 0.208702 -2.431105 1.002339
O 2.394718 -1.894570 -0.160872
O 2.949357 2.529791 0.215440
O -0.018404 -3.892321 -0.722218
O 3.398296 -1.520704 -2.155895
O 1.236270 3.858325 0.882806
N -1.378285 0.735909 0.422863
N -2.473537 2.675220 -0.154115
N -3.051768 -0.913142 -0.471295
N -4.985367 0.181784 -1.501573
N -5.221473 2.532170 -1.631485
C 0.066904 -1.304936 0.112067
C 1.438718 -0.847615 -0.441169
C -0.377772 -0.155642 1.059011
C 1.841408 0.400175 0.376736
C 2.037974 1.646293 -0.488697
C -2.567422 0.344980 -0.207333
C -1.385166 2.179460 0.433107
C -3.235935 1.565945 -0.565904
C 0.119676 -3.710509 0.459580
C 3.335438 -2.180518 -1.149364
C -4.489646 1.444836 -1.236332
C 0.221037 -4.681728 1.580342
C 2.416172 3.605030 0.907332
C 4.143712 -3.340471 -0.699534
C -4.251975 -0.908037 -1.113268
C 3.525453 4.318236 1.592960
H -0.658833 -1.566861 -0.696022
H 1.399285 -0.666534 -1.541623
H -0.742485 -0.510947 2.056027
H 2.730216 0.212642 1.026072
H 1.087022 2.168558 -0.710390
H 2.590461 1.428240 -1.424859
H -0.560467 2.741702 0.880070
H 0.898364 -5.510590 1.323943
H 0.584147 -4.215245 2.511392
H -0.766772 -5.121741 1.799767
H 3.864741 -4.246930 -1.265441
H 4.003731 -3.566097 0.370463
H 5.217651 -3.166047 -0.876158
H -4.691464 -1.892125 -1.352629
H -6.106918 2.416916 -2.097942
H -4.887165 3.464972 -1.442088
H 3.526672 5.387873 1.326442
H 3.407900 4.258063 2.687674
H 4.515809 3.905143 1.340658


%chk=000253645-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253645

0 1
O 0.737026 0.798706 1.454799
O 0.452073 -2.177262 1.452823
O 2.342337 -1.733481 -0.602073
O 3.201718 2.418378 0.972856
O 0.411185 -3.964549 -0.053834
O 1.654060 -1.820452 -2.837569
O 1.395442 3.899469 0.842018
N -1.319992 0.823384 0.207582
N -2.280031 2.649826 -0.798095
N -3.002524 -0.908757 -0.412430
N -4.833742 0.034440 -1.758517
N -4.937073 2.316106 -2.369448
C 0.078076 -1.240088 0.367904
C 1.339900 -0.694050 -0.347564
C -0.442786 0.017524 1.092957
C 1.909088 0.342114 0.646902
C 2.572540 1.535147 -0.039399
C -2.496898 0.360942 -0.398899
C -1.248678 2.211958 -0.051361
C -3.066926 1.503974 -1.018873
C 0.572454 -3.536908 1.107627
C 2.341593 -2.291656 -1.912264
C -4.288567 1.297901 -1.725208
C 0.908464 -4.347998 2.336908
C 2.482222 3.563370 1.359188
C 3.246251 -3.493870 -1.959880
C -4.174683 -0.976625 -1.114796
C 3.211003 4.287033 2.466584
H -0.656370 -1.712764 -0.302933
H 1.032075 -0.237156 -1.307795
H -0.981753 -0.242325 2.019326
H 2.616802 -0.146511 1.340390
H 1.844688 2.113528 -0.635176
H 3.404350 1.185383 -0.674092
H -0.431471 2.827246 0.323714
H 1.005203 -5.408907 2.066297
H 1.850791 -3.986110 2.783149
H 0.118184 -4.228794 3.097987
H 2.672085 -4.363368 -1.589309
H 4.122850 -3.360203 -1.306860
H 3.557925 -3.690109 -2.996295
H -4.645177 -1.962565 -1.172524
H -5.805503 2.116262 -2.861153
H -4.544995 3.255303 -2.353467
H 2.840362 5.319635 2.541441
H 3.019625 3.770617 3.424825
H 4.298602 4.277166 2.292640


