%chk=000298705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298705

0 1
O -4.787133 0.293733 1.020146
O 7.777606 0.937321 -0.593571
O 7.978078 -1.051982 0.461103
N 1.577603 -0.021511 0.262014
C -7.972941 -0.587096 -0.708649
C -9.427474 -0.378592 -0.266302
C -6.994317 -0.057534 0.344698
C -10.414399 -0.906674 -1.317014
C -5.549038 -0.266975 -0.099513
C -11.863277 -0.701663 -0.881262
C -3.421209 0.270783 0.955332
C -2.808627 0.839849 2.096726
C -2.663021 -0.248059 -0.103262
C -0.638696 0.364253 1.106825
C -1.425155 0.880706 2.160925
C -1.270398 -0.195423 -0.015850
C 0.829240 0.428239 1.217835
C 2.998881 -0.003518 0.291278
C 5.784721 -0.089709 0.110652
C 3.702845 -1.089381 0.852504
C 3.691082 1.039866 -0.357485
C 5.090207 -1.129064 0.755429
C 5.079073 0.989251 -0.447583
C 7.257154 -0.174160 0.038344
C 9.227109 0.996612 -0.779616
C 9.630534 0.121592 -1.948211
H -7.800019 -0.078931 -1.677644
H -7.788238 -1.663887 -0.891722
H -9.617015 0.696579 -0.081283
H -9.605306 -0.884656 0.702431
H -7.159604 -0.557586 1.321129
H -7.171409 1.020282 0.538887
H -10.241042 -0.399274 -2.286328
H -10.229118 -1.983116 -1.501495
H -5.281123 -1.331142 -0.206459
H -5.293184 0.295384 -1.012712
H -12.561210 -1.081414 -1.636131
H -12.093427 0.358811 -0.727084
H -12.081298 -1.223472 0.057642
H -3.433611 1.231410 2.896308
H -3.130298 -0.684801 -0.979131
H -0.941627 1.317211 3.036438
H -0.660878 -0.595671 -0.833112
H 1.204650 0.879677 2.154295
H 3.160493 -1.896652 1.341250
H 3.138411 1.868112 -0.797369
H 5.652716 -1.966204 1.181021
H 5.630787 1.788825 -0.951318
H 9.716218 0.696512 0.164494
H 9.366618 2.075705 -0.972223
H 9.487758 -0.944024 -1.711242
H 9.028218 0.336755 -2.839997
H 10.684888 0.262400 -2.211339


%chk=000298705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298705

0 1
O -4.836388 0.000755 1.273168
O 7.884443 0.912552 -0.961618
O 8.025122 -0.384370 0.977283
N 1.580632 0.230544 0.064780
C -8.069633 -0.453644 -0.706633
C -9.553025 -0.479908 -0.273914
C -7.108410 -0.243443 0.485852
C -10.530452 -0.680976 -1.453961
C -5.641961 -0.225675 0.052390
C -12.009043 -0.709513 -1.010437
C -3.447777 0.066895 1.153044
C -2.743571 0.297432 2.364229
C -2.735523 -0.078709 -0.070696
C -0.612118 0.239057 1.134456
C -1.343823 0.382649 2.349454
C -1.332752 0.008013 -0.069995
C 0.850337 0.329826 1.152205
C 2.992755 0.222837 0.117542
C 5.839035 0.221557 0.078618
C 3.731640 -0.462246 1.130644
C 3.704001 0.876155 -0.930246
C 5.135919 -0.460100 1.107034
C 5.107962 0.887309 -0.943275
C 7.324964 0.195340 0.106347
C 9.375311 0.932228 -1.032129
C 9.901493 -0.298919 -1.776297
H -7.922206 0.354887 -1.453054
H -7.824150 -1.405209 -1.223249
H -9.799731 0.468247 0.247782
H -9.704042 -1.291131 0.468449
H -7.250735 -1.047877 1.232758
H -7.340944 0.711752 0.994569
H -10.381188 0.131542 -2.194316
H -10.282178 -1.627233 -1.976986
H -5.348147 -1.191158 -0.408947
H -5.448406 0.591612 -0.672939
H -12.686842 -0.854827 -1.871483
H -12.292710 0.237342 -0.513387
H -12.192365 -1.532003 -0.293493
H -3.316570 0.405615 3.289742
H -3.264508 -0.256923 -1.011204
H -0.803177 0.562466 3.287063
H -0.763120 -0.099649 -0.998824
H 1.309856 0.517112 2.146904
H 3.196276 -1.018646 1.908395
H 3.126268 1.373004 -1.715688
H 5.715086 -0.984720 1.874349
H 5.654812 1.399970 -1.739059
H 9.775774 0.978333 -0.004089
H 9.597860 1.867608 -1.570743
H 9.676811 -1.219988 -1.213160
H 9.451096 -0.374058 -2.781217
H 10.998842 -0.224017 -1.893217


