%chk=000245390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245390

0 1
O 1.645773 -0.228977 1.255009
O 0.751201 1.376677 -0.097470
N -0.583241 -0.348773 0.789616
C 3.602733 0.083998 -0.166520
C 5.065885 0.540798 -0.199144
C 2.945896 0.438730 1.162727
C -0.517559 -1.588726 1.623980
C -1.786257 -0.043126 0.054137
C 0.603439 0.364727 0.556698
C 5.727346 0.200393 -1.532164
C 0.032353 -2.782127 0.848823
C -2.035369 1.277188 -0.370235
C -2.731070 -1.054198 -0.205372
C -3.223343 1.573774 -1.036926
C -3.917827 -0.733958 -0.869113
C -4.171180 0.574939 -1.286013
H 3.033841 0.555602 -0.996885
H 3.532655 -1.007233 -0.342069
H 5.630407 0.068277 0.628748
H 5.122644 1.634201 -0.024840
H 3.458177 0.001163 2.038485
H 2.802518 1.525735 1.291986
H 0.137481 -1.370176 2.503252
H -1.533542 -1.800339 2.024720
H 5.721612 -0.878627 -1.724239
H 5.213952 0.684096 -2.372097
H 6.771593 0.532429 -1.552492
H -0.546226 -2.993139 -0.058339
H 1.070996 -2.600158 0.534621
H 0.031054 -3.687806 1.465448
H -1.298844 2.066957 -0.193362
H -2.551193 -2.083771 0.094234
H -3.411950 2.596144 -1.365171
H -4.648635 -1.517933 -1.065701
H -5.096220 0.816140 -1.803531


%chk=000245390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245390

0 1
O 1.648277 -0.239993 1.230937
O 0.730057 1.394737 -0.172681
N -0.582552 -0.398638 0.678296
C 3.731541 -0.014312 -0.128908
C 5.126998 0.648826 -0.216814
C 2.957970 0.460985 1.107666
C -0.542436 -1.634338 1.517399
C -1.819448 -0.031718 0.029752
C 0.586809 0.345216 0.508371
C 5.923439 0.177428 -1.452525
C -0.005104 -2.872721 0.770974
C -2.103861 1.310671 -0.347244
C -2.804733 -1.030482 -0.208574
C -3.343215 1.631670 -0.939291
C -4.042181 -0.693458 -0.796997
C -4.323973 0.639779 -1.167209
H 3.146761 0.229479 -1.035717
H 3.844459 -1.115738 -0.090435
H 5.704091 0.423906 0.703591
H 5.007903 1.750539 -0.252624
H 3.481783 0.199116 2.042706
H 2.775625 1.549805 1.063844
H 0.099196 -1.428429 2.388210
H -1.565166 -1.808807 1.891841
H 6.080323 -0.917414 -1.430131
H 5.383252 0.420497 -2.386346
H 6.916308 0.660801 -1.499669
H -0.603479 -3.106797 -0.127126
H 1.038810 -2.703683 0.458090
H -0.025474 -3.753298 1.439408
H -1.353502 2.086572 -0.194072
H -2.611922 -2.076767 0.043557
H -3.540997 2.672466 -1.219737
H -4.782426 -1.482411 -0.972014
H -5.284031 0.899413 -1.625727


