%chk=000198505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198505

0 1
O -1.815979 -0.473387 -0.760095
O -3.123667 -0.253766 2.397209
O 3.203912 1.653371 -1.752846
O 4.657418 1.039457 0.727614
N -0.527854 -2.789831 0.296747
N -4.133976 0.639204 0.573470
C 0.115630 -2.052199 -0.839054
C -1.316711 -1.866870 1.173019
C 0.511838 -3.524533 1.074582
C 1.296033 -1.190673 -0.424727
C -0.993814 -1.300583 -1.607558
C -2.421182 -1.219559 0.319919
C 1.615747 -2.625442 1.657417
C 2.026280 -1.507827 0.739364
C 1.699469 -0.113322 -1.222774
C -3.221353 -0.217185 1.174388
C 3.164284 -0.761242 1.079342
C 2.823800 0.640239 -0.876531
C 3.571421 0.305858 0.273118
C -4.931723 1.549099 1.447845
C -4.233699 0.869120 -0.890375
C -6.368181 1.049159 1.588532
C -3.307273 1.992611 -1.355180
C 3.063497 2.985908 -1.184867
C 5.752535 1.150712 -0.222920
H 0.524937 -2.843052 -1.534184
H -0.700077 -1.068821 1.645989
H -1.773280 -2.451337 2.001884
H 0.956812 -4.285693 0.395153
H 0.008074 -4.090579 1.887594
H -0.587852 -0.556904 -2.319614
H -1.648296 -2.018300 -2.135640
H -3.104550 -1.985395 -0.114541
H 2.495999 -3.248017 1.918793
H 1.272965 -2.183245 2.619054
H 1.142478 0.164264 -2.119447
H 3.744347 -0.994046 1.971717
H -4.446660 1.597235 2.455432
H -4.910753 2.576648 1.025910
H -3.978460 -0.072743 -1.429652
H -5.292426 1.108367 -1.136885
H -6.395700 0.041963 2.026226
H -6.946069 1.706955 2.247711
H -6.887484 1.000061 0.625813
H -3.502754 2.935817 -0.835271
H -2.254370 1.725624 -1.165268
H -3.412270 2.172226 -2.429696
H 3.637667 3.067939 -0.255186
H 2.004362 3.198468 -1.016099
H 3.477551 3.620424 -1.974874
H 5.396277 1.515920 -1.193344
H 6.237176 0.175596 -0.320740
H 6.410102 1.876606 0.266625


%chk=000198505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198505

0 1
O -1.737488 -0.242439 -0.812642
O -3.090068 -0.033785 2.393599
O 3.463789 1.729993 -1.662480
O 4.916416 0.933757 0.763134
N -0.542671 -2.638624 0.249649
N -4.222133 0.700108 0.504406
C 0.130041 -1.923824 -0.874105
C -1.331260 -1.720224 1.117212
C 0.444931 -3.445716 1.007561
C 1.356223 -1.101206 -0.419485
C -0.950960 -1.154428 -1.662263
C -2.397357 -1.016730 0.266694
C 1.534240 -2.575269 1.689742
C 2.049278 -1.467855 0.772382
C 1.861390 -0.033893 -1.199774
C -3.253439 -0.067210 1.127760
C 3.232263 -0.774481 1.124446
C 3.023090 0.670454 -0.830158
C 3.739137 0.274514 0.334761
C -5.054916 1.577409 1.367059
C -4.539031 0.689591 -0.942707
C -6.278208 0.836346 1.948278
C -3.980681 1.915728 -1.696144
C 3.442254 3.060555 -1.009150
C 6.051842 0.848101 -0.184501
H 0.501404 -2.710948 -1.567272
H -0.718899 -0.936842 1.613927
H -1.819942 -2.313399 1.908885
H 0.917496 -4.146130 0.291775
H -0.091513 -4.052204 1.760493
H -0.523906 -0.517674 -2.451889
H -1.632129 -1.902149 -2.123110
H -3.042555 -1.795229 -0.205723
H 2.374075 -3.215985 2.021435
H 1.117267 -2.114456 2.608071
H 1.354420 0.299358 -2.110738
H 3.790443 -1.051134 2.026396
H -4.418971 1.940718 2.191879
H -5.373995 2.445469 0.761903
H -4.131261 -0.227018 -1.396228
H -5.642476 0.648303 -1.043437
H -5.943582 0.004991 2.591125
H -6.887832 1.525203 2.561626
H -6.923658 0.429407 1.148024
H -4.356236 2.863192 -1.268381
H -2.880215 1.909237 -1.640628
H -4.285230 1.879996 -2.758845
H 4.067441 3.063331 -0.097798
H 2.403063 3.338808 -0.750320
H 3.844447 3.761880 -1.756248
H 5.774356 1.255692 -1.173236
H 6.377952 -0.204172 -0.291261
H 6.857554 1.445184 0.269402


