%chk=000216340.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216340

0 1
O 1.066087 -1.973064 -0.158204
O 5.502440 -0.760039 0.268046
N 0.445655 1.057773 -0.420744
N 3.998655 0.964680 0.018830
N -2.533057 -0.980525 0.750152
N 3.279776 -1.369613 0.047553
N 2.125732 2.606672 -0.284401
C -0.880211 0.434598 -0.535638
C 1.643952 0.346373 -0.230777
C -1.372247 -0.066186 0.847712
C 2.667588 1.334228 -0.156590
C 1.886218 -1.073175 -0.124732
C 0.775098 2.405749 -0.437074
C 4.345317 -0.417442 0.121475
C -3.781423 -0.427738 0.337386
C 5.058126 1.999906 0.094319
C -2.169630 -2.322010 0.216063
C 3.691978 -2.796262 0.165369
C -4.058917 0.942782 0.553468
C -4.800444 -1.256289 -0.186328
C -5.319976 1.456709 0.255567
C -6.054209 -0.720621 -0.477742
C -6.323192 0.635143 -0.266292
H -1.605430 1.153197 -0.977966
H -0.807997 -0.432043 -1.242674
H -0.546961 -0.614085 1.366576
H -1.636221 0.794465 1.503062
H 0.059226 3.209133 -0.565181
H 5.072564 2.599658 -0.833545
H 6.048130 1.523624 0.230088
H 4.867146 2.679790 0.944033
H -2.341217 -2.432335 -0.865773
H -2.760822 -3.085241 0.751197
H -1.099610 -2.542881 0.403766
H 2.805558 -3.453617 0.090926
H 4.189176 -2.973455 1.135003
H 4.401272 -3.058457 -0.639038
H -3.305388 1.598669 0.980622
H -4.628385 -2.315873 -0.352088
H -5.523874 2.512590 0.433416
H -6.833599 -1.370169 -0.876916
H -7.301885 1.043481 -0.499527


%chk=000216340-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216340

0 1
O 1.243178 -2.088435 -0.280072
O 5.651920 -0.624961 0.532639
N 0.542696 0.947877 -0.581397
N 4.031623 1.028200 0.143449
N -2.582181 -1.027433 0.298511
N 3.451369 -1.320109 0.117982
N 2.144438 2.564666 -0.313436
C -0.769482 0.307204 -0.791719
C 1.748182 0.285249 -0.288226
C -1.365661 -0.251755 0.536392
C 2.703580 1.306239 -0.138177
C 2.059150 -1.115716 -0.167293
C 0.835670 2.301647 -0.577576
C 4.453938 -0.315013 0.279844
C -3.846140 -0.417190 0.217358
C 5.009949 2.123511 0.297005
C -2.429510 -2.470027 0.045329
C 3.929929 -2.714281 0.269226
C -4.011034 1.000308 0.335534
C -5.022937 -1.205462 0.017472
C -5.290254 1.587497 0.265834
C -6.294228 -0.601077 -0.055548
C -6.447108 0.798871 0.067589
H -1.449008 1.050182 -1.243212
H -0.640588 -0.531130 -1.496207
H -0.608805 -0.911222 0.993641
H -1.556730 0.575999 1.243732
H 0.084899 3.062456 -0.778366
H 5.049879 2.724879 -0.626323
H 5.990057 1.668224 0.499236
H 4.713918 2.779834 1.132267
H -2.872677 -2.762820 -0.927244
H -2.910251 -3.079192 0.837511
H -1.356137 -2.718850 0.017038
H 3.063391 -3.376158 0.128053
H 4.368044 -2.856030 1.270509
H 4.708021 -2.929619 -0.481017
H -3.144995 1.653141 0.485677
H -4.948180 -2.292989 -0.069465
H -5.380542 2.675955 0.363593
H -7.175039 -1.236246 -0.206902
H -7.437342 1.261874 0.010159


