%chk=000288847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288847

0 1
O 0.042170 3.126266 0.295795
N -1.614492 0.599424 0.422303
C -2.539015 1.767288 0.346523
C -2.951459 2.056855 -1.112532
C -3.766690 1.482832 1.235955
C -3.887863 0.989087 -1.687873
C -4.711311 0.430449 0.642415
C -5.117929 0.784326 -0.794055
C -0.271213 0.688118 0.209346
C 0.619987 -0.356990 0.047558
C 1.979768 0.184035 -0.068431
C 0.522583 2.027195 0.189276
C 1.925265 1.615484 0.012570
C 0.307612 -1.779929 -0.008056
C 3.198696 -0.456661 -0.223953
C 3.078011 2.379950 -0.068088
C 4.371041 0.327284 -0.305096
C 4.308953 1.727207 -0.230596
C -0.444778 -2.385514 1.014478
C 0.749682 -2.559810 -1.093126
C 5.687206 -0.359631 -0.469940
C -0.752436 -3.746459 0.946899
C 0.438183 -3.918770 -1.152306
C -0.315166 -4.515899 -0.135239
H -1.997553 2.670370 0.751941
H -2.048860 2.154779 -1.746108
H -3.446968 3.047491 -1.145958
H -4.315741 2.435235 1.378787
H -3.438037 1.170724 2.246406
H -3.343979 0.032647 -1.809194
H -4.207013 1.283404 -2.706075
H -5.613700 0.342508 1.277681
H -4.233287 -0.567537 0.663239
H -5.735977 1.703028 -0.792468
H -5.759517 -0.013964 -1.211874
H -2.051389 -0.318072 0.313033
H 3.253427 -1.541167 -0.272504
H 3.027800 3.467763 -0.005454
H 5.220006 2.315576 -0.295686
H -0.764398 -1.796097 1.871540
H 1.329811 -2.094370 -1.888124
H 5.894863 -1.026224 0.380834
H 5.701156 -0.983092 -1.376150
H 6.530733 0.338668 -0.545450
H -1.331025 -4.210209 1.744019
H 0.781383 -4.516920 -1.994823
H -0.556042 -5.574773 -0.185342


%chk=000288847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288847

0 1
O 0.050644 3.166287 0.362780
N -1.621845 0.619111 0.542533
C -2.579901 1.757095 0.530443
C -2.901586 2.232728 -0.916576
C -3.878712 1.327924 1.258890
C -3.705051 1.180296 -1.714743
C -4.705933 0.287885 0.459780
C -5.007045 0.788367 -0.974306
C -0.265568 0.684376 0.317413
C 0.624811 -0.381628 0.110413
C 1.987490 0.181295 -0.109282
C 0.513101 1.996870 0.229630
C 1.923331 1.607742 -0.039799
C 0.275596 -1.812008 0.085502
C 3.232316 -0.435195 -0.311289
C 3.057895 2.411183 -0.181787
C 4.409694 0.369013 -0.462632
C 4.313970 1.780324 -0.402745
C -0.650583 -2.365776 1.022356
C 0.840146 -2.693934 -0.885168
C 5.750775 -0.307271 -0.679519
C -1.000244 -3.732346 0.984308
C 0.486358 -4.058185 -0.923770
C -0.437730 -4.587904 0.008622
H -2.103857 2.592401 1.070387
H -1.959347 2.490216 -1.433317
H -3.488599 3.171007 -0.842986
H -4.496735 2.236103 1.400605
H -3.632442 0.943986 2.267742
H -3.081162 0.275457 -1.866026
H -3.940479 1.572268 -2.722570
H -5.648835 0.075450 0.999468
H -4.166770 -0.682207 0.401904
H -5.671823 1.675240 -0.915519
H -5.556028 0.012429 -1.541950
H -2.038139 -0.315994 0.509386
H 3.326477 -1.526536 -0.333682
H 2.972840 3.501418 -0.118374
H 5.218647 2.386808 -0.520716
H -1.045871 -1.733413 1.827138
H 1.530257 -2.292096 -1.634878
H 6.002563 -0.972959 0.168141
H 5.739333 -0.937272 -1.589326
H 6.565640 0.428473 -0.786188
H -1.701989 -4.132759 1.725216
H 0.926934 -4.709823 -1.687191
H -0.710045 -5.648543 -0.022219


