%chk=000224965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224965

0 1
N -5.574474 -0.088320 0.024061
N 2.980641 -0.413704 0.097316
C -4.180032 -0.100893 0.026050
C -6.347224 1.136675 -0.300880
C -6.370489 -1.300349 0.341397
C -3.440548 1.083134 -0.239577
C -3.463379 -1.299627 0.294976
C -1.338699 -0.126516 0.031693
C -6.607040 1.986725 0.943595
C -6.637826 -2.143612 -0.906049
C -2.052908 1.057097 -0.235225
C -2.076781 -1.299306 0.296319
C 0.119902 -0.182113 0.044077
C 5.193096 0.638006 -0.140810
C 2.401978 0.765727 -0.169212
C 4.367205 -0.493330 0.115089
C 0.937909 0.862732 -0.190871
C 4.547209 1.883101 -0.422182
C 3.180489 1.953834 -0.437929
C 6.611980 0.484649 -0.106375
C 4.973155 -1.762131 0.401838
C 7.168898 -0.739389 0.170257
C 6.339556 -1.872269 0.426513
H -5.797416 1.734190 -1.065701
H -7.310683 0.841423 -0.774348
H -5.835721 -1.908718 1.108381
H -7.331337 -0.988970 0.809822
H -3.954684 2.017162 -0.446775
H -3.996412 -2.223666 0.500249
H -7.199863 1.446602 1.690584
H -5.668707 2.276849 1.435363
H -7.146898 2.905248 0.690024
H -7.216766 -1.592210 -1.655620
H -5.701881 -2.449683 -1.392730
H -7.195078 -3.053038 -0.657135
H -1.503859 1.977959 -0.442622
H -1.545426 -2.229943 0.505923
H 0.550552 -1.169960 0.266125
H 0.543829 1.855003 -0.413893
H 5.160937 2.761612 -0.620903
H 2.662859 2.885916 -0.648575
H 7.237123 1.354226 -0.303067
H 4.319121 -2.613110 0.594345
H 8.249230 -0.867697 0.199086
H 6.816361 -2.827920 0.642493


%chk=000224965-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224965

0 1
N -5.635347 -0.107984 0.024842
N 3.004092 -0.387471 0.068533
C -4.236617 -0.088835 0.017802
C -6.430036 1.090525 -0.311605
C -6.390269 -1.329151 0.370943
C -3.504603 1.126303 -0.210382
C -3.465827 -1.277390 0.238354
C -1.331908 -0.037412 0.003117
C -6.686515 2.023416 0.896215
C -6.630425 -2.271706 -0.832588
C -2.104376 1.142451 -0.219474
C -2.063894 -1.239652 0.232866
C 0.126996 -0.072757 0.008523
C 5.271316 0.626526 -0.116622
C 2.453901 0.837094 -0.165282
C 4.381905 -0.502048 0.094452
C 0.994498 0.974621 -0.193094
C 4.661120 1.902037 -0.361286
C 3.275061 2.007542 -0.385784
C 6.686662 0.426660 -0.072954
C 4.955241 -1.793469 0.341377
C 7.216547 -0.844317 0.170642
C 6.342232 -1.959462 0.378521
H -5.931793 1.647620 -1.126471
H -7.398651 0.748544 -0.722803
H -5.865944 -1.869131 1.180987
H -7.364337 -1.016130 0.792293
H -4.037688 2.068459 -0.366633
H -3.962073 -2.238269 0.400427
H -7.234638 1.490391 1.694089
H -5.737022 2.387940 1.325016
H -7.290064 2.898210 0.590144
H -7.206776 -1.759226 -1.624058
H -5.674644 -2.604516 -1.272802
H -7.199751 -3.166004 -0.517537
H -1.596507 2.097786 -0.394912
H -1.507820 -2.170258 0.403161
H 0.596870 -1.048893 0.196067
H 0.615940 1.986893 -0.387871
H 5.295176 2.781341 -0.526361
H 2.787022 2.970897 -0.570281
H 7.351453 1.284752 -0.233230
H 4.268140 -2.630988 0.497423
H 8.301497 -0.992965 0.203281
H 6.769754 -2.950579 0.568053


