%chk=000184524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184524

0 1
O 2.181100 -0.175687 1.335326
N -5.326768 -0.145019 0.200065
N -1.675984 0.669015 -0.239672
N 3.188704 0.395874 -0.649731
C -6.493544 0.766702 0.407858
C -5.625686 -1.481080 -0.408725
C -4.131751 0.507197 -0.413490
C -2.882726 0.010308 0.350010
C -6.161317 1.721320 1.567354
C -6.934356 1.565311 -0.831988
C -6.591486 -2.256742 0.499369
C -6.156763 -1.434654 -1.851772
C -0.415270 0.184000 0.399688
C 0.774651 0.716261 -0.417981
C 2.082989 0.264938 0.204776
C 4.549374 0.110323 -0.260536
C 4.927194 -1.185875 0.157277
C 5.507251 1.149605 -0.344208
C 6.271809 -1.423298 0.486797
C 6.841263 0.874635 -0.019963
C 3.935990 -2.294200 0.262937
C 5.117221 2.527543 -0.774572
C 7.218781 -0.404402 0.396448
H -7.357509 0.120874 0.726911
H -4.644845 -2.034801 -0.419574
H -4.023915 0.287937 -1.498012
H -4.207609 1.612090 -0.329557
H -2.781079 -1.090603 0.231154
H -3.006039 0.197635 1.438441
H -5.389742 2.448621 1.296841
H -5.784822 1.160596 2.432544
H -7.048102 2.277143 1.884453
H -6.144295 2.223489 -1.204793
H -7.218786 0.894457 -1.653317
H -7.799431 2.195569 -0.603886
H -7.601418 -1.832202 0.488125
H -6.242985 -2.242071 1.540223
H -6.667331 -3.302455 0.186474
H -7.073137 -0.835216 -1.929456
H -5.420492 -0.995946 -2.533593
H -6.387887 -2.438666 -2.220072
H -1.748927 1.685993 -0.121825
H -0.306252 0.484279 1.466100
H -0.404730 -0.929174 0.388278
H 0.671844 0.371266 -1.468653
H 0.747755 1.823761 -0.463780
H 3.086137 0.831187 -1.563750
H 6.574942 -2.415028 0.817850
H 7.587985 1.663169 -0.083920
H 3.245640 -2.102361 1.109737
H 3.314809 -2.378908 -0.638447
H 4.401270 -3.270852 0.437299
H 5.923290 3.256842 -0.613351
H 4.867917 2.560502 -1.843527
H 4.246546 2.893490 -0.210889
H 8.258021 -0.604790 0.653606


%chk=000184524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184524

0 1
O 2.340221 1.030745 1.656461
N -5.288774 -0.182915 -0.101580
N -1.650104 0.925321 -0.183025
N 3.109985 0.434912 -0.477852
C -6.462503 0.455461 0.547379
C -5.511087 -1.322097 -1.031688
C -4.120606 0.661562 -0.407546
C -2.819080 0.111595 0.225082
C -6.145326 0.809596 2.022005
C -7.036323 1.702615 -0.192533
C -6.069231 -2.564907 -0.296997
C -6.375410 -0.984498 -2.282382
C -0.357058 0.457533 0.361789
C 0.805941 1.285696 -0.236192
C 2.144047 0.914765 0.410876
C 4.460252 0.052545 -0.152488
C 4.721647 -0.962521 0.813395
C 5.517887 0.691881 -0.867494
C 6.075159 -1.295694 1.074665
C 6.851536 0.315497 -0.587184
C 3.609092 -1.699107 1.529234
C 5.220165 1.766641 -1.899130
C 7.133472 -0.666487 0.387550
H -7.259513 -0.313182 0.558637
H -4.500427 -1.594834 -1.398645
H -3.951606 0.770894 -1.502800
H -4.293725 1.684827 -0.018828
H -2.654196 -0.925717 -0.127245
H -2.959794 0.056371 1.331734
H -5.335955 1.562020 2.081888
H -5.814745 -0.090473 2.568353
H -7.033360 1.232095 2.529155
H -6.317299 2.543385 -0.181760
H -7.278113 1.472514 -1.244025
H -7.959506 2.052665 0.306922
H -7.096446 -2.393366 0.076048
H -5.428180 -2.816850 0.565634
H -6.108444 -3.433876 -0.980233
H -7.424441 -0.781543 -1.997522
H -5.979652 -0.096820 -2.809694
H -6.378537 -1.832523 -2.993105
H -1.799198 1.921780 0.039075
H -0.292851 0.512366 1.473567
H -0.236580 -0.607607 0.082094
H 0.810111 1.162013 -1.334828
H 0.623008 2.357110 -0.020389
H 2.879899 0.501070 -1.472443
H 6.291692 -2.071002 1.818820
H 7.670303 0.805391 -1.126974
H 3.159091 -1.057781 2.308459
H 2.793438 -1.969721 0.832839
H 3.988222 -2.622902 1.998418
H 6.152554 2.238684 -2.251108
H 4.705581 1.360248 -2.793940
H 4.571253 2.558739 -1.481250
H 8.171012 -0.944210 0.603700


