%chk=000247617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247617

0 1
O -6.740364 0.802350 -0.071414
O 6.740869 0.854379 0.076390
O -4.138976 -2.999549 0.067615
O 4.169334 -2.966339 -0.096438
N -4.450008 1.060388 -0.086725
N 4.448575 1.094378 0.093011
N -5.463264 -1.130628 0.019479
N 5.478894 -1.087621 -0.032182
N -2.080688 1.369702 -0.307781
N 2.076879 1.383352 0.315835
N -1.719529 -1.485768 0.139028
N 1.738096 -1.470972 -0.155694
C -0.006321 2.508232 0.008734
C -3.163790 0.481052 -0.079305
C 3.166890 0.505123 0.080083
C -1.117559 1.614355 0.527075
C 1.111928 1.627527 -0.517050
C -3.026499 -0.888912 -0.008613
C 3.040296 -0.865190 -0.002505
C -5.646218 0.270654 -0.049986
C 5.650898 0.314368 0.049729
C -4.185763 -1.784714 0.028428
C 4.206545 -1.751562 -0.046975
C -4.609720 2.531532 -0.230381
C 4.596784 2.565395 0.249716
C -0.981296 1.123972 1.925680
C 0.979565 1.148061 -1.919795
C -6.697345 -1.961106 0.079770
C 6.718983 -1.908487 -0.100372
H -0.372168 3.183524 -0.798049
H 0.354195 3.179610 0.821158
H -5.684174 2.788690 -0.331381
H -4.080010 2.894952 -1.128947
H -4.213792 3.049749 0.657654
H 4.197282 3.088311 -0.633960
H 5.669155 2.829988 0.353590
H 4.063802 2.916762 1.151129
H -1.218686 0.041395 1.997305
H 0.039405 1.236340 2.324726
H -1.664362 1.640891 2.613879
H -0.042189 1.254991 -2.317647
H 1.657906 1.676853 -2.603633
H 1.226318 0.068243 -2.000857
H -6.453778 -3.010671 -0.174444
H -7.453819 -1.583217 -0.630246
H -7.127327 -1.935752 1.095446
H 7.136819 -1.887658 -1.121204
H 6.486877 -2.958002 0.164367
H 7.480555 -1.519065 0.597946
H -1.183570 -1.389249 -0.725840
H -1.811691 -2.487670 0.331891
H 1.838141 -2.470486 -0.356811
H 1.201019 -1.385801 0.709670


%chk=000247617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247617

0 1
O -6.828658 0.751131 -0.098627
O 6.829937 0.803671 0.092060
O -3.996433 -2.982860 0.224989
O 4.026098 -2.949793 -0.253407
N -4.502691 1.082345 -0.171728
N 4.501701 1.115923 0.175515
N -5.421598 -1.107492 0.101048
N 5.436900 -1.064372 -0.117843
N -2.161841 1.493452 -0.335184
N 2.157841 1.507089 0.348494
N -1.739560 -1.458698 -0.006775
N 1.757771 -1.444971 -0.002113
C -0.006280 2.559182 0.011780
C -3.190743 0.560554 -0.099412
C 3.193807 0.584350 0.102984
C -1.144666 1.656852 0.485081
C 1.138540 1.669275 -0.469375
C -2.996876 -0.816815 -0.001794
C 3.010372 -0.793620 -0.005258
C -5.654912 0.277305 -0.062092
C 5.659875 0.320821 0.055801
C -4.144207 -1.719637 0.111636
C 4.164260 -1.686479 -0.129429
C -4.701230 2.539840 -0.337146
C 4.689183 2.573555 0.351964
C -0.996783 0.974053 1.828041
C 0.994297 0.995255 -1.817196
C -6.623461 -1.963600 0.221455
C 6.645041 -1.909922 -0.249530
H -0.374725 3.189553 -0.814545
H 0.357455 3.185277 0.843465
H -5.782979 2.710580 -0.435730
H -4.168804 2.892347 -1.234622
H -4.321315 3.088260 0.542150
H 4.301317 3.125990 -0.521326
H 5.769915 2.752229 0.447641
H 4.157631 2.914502 1.254428
H -0.894548 -0.125012 1.685131
H -0.129425 1.357996 2.386581
H -1.914431 1.107945 2.431253
H 0.124775 1.378284 -2.372996
H 1.911164 1.138262 -2.419472
H 0.897855 -0.105299 -1.681704
H -6.276223 -2.999128 0.347748
H -7.245670 -1.870998 -0.683577
H -7.225054 -1.644674 1.088041
H 7.239410 -1.581390 -1.117541
H 6.305521 -2.947490 -0.380024
H 7.271296 -1.817209 0.652663
H -1.017305 -1.097117 -0.635092
H -1.840653 -2.481387 0.014098
H 1.866556 -2.466654 -0.032068
H 1.035656 -1.094563 0.632654


