%chk=000218202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218202

0 1
O 0.945596 0.587228 -0.620454
O 3.004439 -0.581872 -0.475833
O -1.736353 -0.825080 -0.209103
O -1.322155 0.498357 1.637919
O -3.821625 -0.711179 -1.288859
N -3.310905 0.714137 0.430915
C 2.839485 1.672666 0.541372
C 2.420359 0.773537 -0.663980
C 2.268631 3.079756 0.313205
C 2.265198 1.080075 1.834350
C 4.372735 1.706616 0.606566
C 2.765877 1.222853 -2.061547
C 0.719389 -0.744114 -0.345175
C 1.956857 -1.458429 -0.286168
C -0.467655 -1.417413 -0.117435
C 2.021252 -2.816581 -0.058979
C -0.426826 -2.811851 0.117509
C 0.788810 -3.484571 0.133844
C -2.031195 0.164655 0.718098
C -3.734565 1.831092 1.318083
C -4.163023 0.240439 -0.628766
C -5.445141 0.990284 -0.823772
H 1.180214 3.041348 0.168365
H 2.457012 3.722248 1.180753
H 2.708607 3.573030 -0.558131
H 2.648043 0.069714 2.020217
H 1.164860 1.007903 1.790940
H 2.514772 1.693950 2.704336
H 4.815659 2.210678 -0.257479
H 4.715092 2.234686 1.503346
H 4.786599 0.689243 0.648091
H 3.794887 1.595791 -2.132079
H 2.669841 0.391210 -2.776599
H 2.083494 2.015600 -2.400070
H 2.966452 -3.348976 -0.024839
H -1.369017 -3.336599 0.274264
H 0.804021 -4.560719 0.309476
H -3.867515 2.759130 0.739110
H -2.965178 2.027623 2.093486
H -4.672418 1.580908 1.839353
H -5.281185 2.052027 -1.055279
H -6.002517 0.557621 -1.673153
H -6.104009 0.933878 0.053799


%chk=000218202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218202

0 1
O 0.937860 0.567555 -0.578909
O 3.039567 -0.603872 -0.421183
O -1.739835 -0.836797 -0.322715
O -1.274952 0.556368 1.505573
O -4.363492 -1.155439 -0.671241
N -3.331028 0.714103 0.362284
C 2.848216 1.680455 0.596930
C 2.444730 0.778339 -0.609617
C 2.169397 3.069418 0.448905
C 2.369752 1.024178 1.921119
C 4.392722 1.839714 0.622952
C 2.808864 1.251084 -2.013239
C 0.735674 -0.799942 -0.353504
C 1.959704 -1.499704 -0.281582
C -0.474161 -1.486950 -0.207627
C 2.023543 -2.884557 -0.103473
C -0.448960 -2.891858 -0.033879
C 0.785442 -3.576324 0.014365
C -2.047503 0.159390 0.605532
C -3.602197 2.007838 1.043294
C -4.381898 0.061904 -0.374482
C -5.551727 0.965764 -0.757531
H 1.073454 2.962227 0.371300
H 2.394353 3.679651 1.342327
H 2.538258 3.622539 -0.434104
H 2.842629 0.038489 2.074706
H 1.272982 0.901182 1.937445
H 2.655942 1.672412 2.769389
H 4.767170 2.409738 -0.246976
H 4.686919 2.391212 1.534242
H 4.891874 0.854972 0.640002
H 3.901041 1.356382 -2.116401
H 2.457690 0.511032 -2.751077
H 2.330067 2.218927 -2.233330
H 2.982484 -3.406352 -0.056333
H -1.401368 -3.420872 0.057939
H 0.789947 -4.662176 0.150015
H -3.839555 2.794015 0.306959
H -2.698458 2.292963 1.600287
H -4.436281 1.911935 1.759525
H -5.214277 1.838019 -1.346004
H -6.248578 0.367287 -1.361736
H -6.089108 1.346652 0.129549


