%chk=000207998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207998

0 1
O -2.476005 0.006869 0.974139
O -3.054733 1.469703 -0.642982
N 2.311894 0.461470 0.139205
N 5.028564 -0.464453 -0.316886
C 2.755221 -0.903718 0.575750
C 3.476577 1.406727 0.190937
C 3.863320 -1.408864 -0.369479
C 4.586316 0.901690 -0.753152
C 1.184059 0.963042 0.991898
C -0.122374 0.308105 0.516102
C 6.135635 -0.955702 -1.190904
C -1.312991 0.817115 1.321476
C -4.408042 -0.589845 -0.299000
C -3.276251 0.432806 -0.065485
C -5.202889 -0.729274 1.004535
C -5.298820 -0.055631 -1.425683
C -3.761211 -1.921221 -0.699522
H 1.882506 -1.588755 0.517690
H 3.123425 -0.922248 1.625027
H 3.887898 1.530080 1.216500
H 3.131450 2.404343 -0.155082
H 4.210001 -2.406893 -0.027903
H 3.451601 -1.532213 -1.394893
H 4.220325 0.923868 -1.802951
H 5.459124 1.585357 -0.690728
H 1.340571 0.776550 2.075928
H 1.104657 2.066028 0.866648
H -0.272541 0.517629 -0.564981
H -0.061015 -0.795696 0.589498
H 6.993407 -0.270063 -1.100425
H 5.880652 -1.052526 -2.256378
H 6.471457 -1.938731 -0.823685
H -1.536169 1.882075 1.128887
H -1.223100 0.626300 2.405050
H -5.669571 0.216743 1.301745
H -6.002998 -1.470649 0.902091
H -4.555890 -1.051851 1.832047
H -5.739676 0.915950 -1.168194
H -6.118688 -0.746949 -1.645403
H -4.731251 0.096890 -2.353010
H -3.072565 -2.278248 0.078527
H -4.518501 -2.697994 -0.852642
H -3.189579 -1.833916 -1.630716


%chk=000207998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207998

0 1
O -2.526149 -0.088947 1.037800
O -2.944179 1.330873 -0.759809
N 2.377530 0.428873 0.142794
N 5.114723 -0.391120 -0.377315
C 2.847857 -0.940999 0.469894
C 3.506238 1.390029 0.240061
C 3.993284 -1.355294 -0.468406
C 4.646336 0.976457 -0.703752
C 1.212812 0.858982 0.952201
C -0.089407 0.122577 0.568025
C 6.275489 -0.799015 -1.190312
C -1.287548 0.683735 1.346367
C -4.504723 -0.560255 -0.285443
C -3.271702 0.337415 -0.069987
C -5.396723 -0.507935 0.989521
C -5.292376 -0.042315 -1.511916
C -4.027471 -2.021788 -0.527746
H 2.012125 -1.652882 0.349249
H 3.208463 -1.002891 1.528870
H 3.908919 1.448398 1.283294
H 3.139949 2.394171 -0.045049
H 4.362489 -2.356798 -0.176945
H 3.593859 -1.423331 -1.513060
H 4.279673 1.044498 -1.760272
H 5.493577 1.678592 -0.588354
H 1.404199 0.734777 2.051842
H 1.069826 1.943126 0.773000
H -0.256393 0.244726 -0.516702
H -0.007147 -0.959623 0.779993
H 7.103446 -0.082057 -1.043163
H 6.053512 -0.850556 -2.287056
H 6.625841 -1.795705 -0.865934
H -1.461640 1.746451 1.097100
H -1.164501 0.561396 2.435875
H -5.742450 0.522114 1.193152
H -6.288068 -1.144451 0.838593
H -4.846201 -0.872953 1.872731
H -5.623132 1.000114 -1.362799
H -6.183442 -0.675968 -1.674236
H -4.671798 -0.066094 -2.424467
H -3.462813 -2.402299 0.339890
H -4.906668 -2.672019 -0.691235
H -3.381817 -2.088107 -1.422697


