%chk=000241259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241259

0 1
O 2.257067 -2.473261 -0.194138
O -2.748209 -0.166572 -0.131469
N 3.304583 -0.316514 -0.037023
C 4.563805 0.472575 -0.309468
C 4.466673 1.881764 0.316674
C 5.752873 -0.289338 0.323521
C 5.778143 2.655295 0.124547
C 7.064118 0.479750 0.127189
C 6.972208 1.894106 0.714307
C 2.046877 0.422378 -0.382456
C 3.327405 -1.641873 -0.713295
C 0.844813 -0.478119 -0.280000
C 1.008003 -1.876499 -0.179861
C -0.445601 0.044943 -0.264669
C -0.077490 -2.747670 -0.037919
C -1.538735 -0.835647 -0.131065
C -1.371762 -2.220639 -0.009759
C -3.961733 -0.968949 -0.012234
C -5.093014 0.022794 -0.007540
C -4.894446 1.334559 0.443740
C -6.363613 -0.386760 -0.439384
C -5.963939 2.233996 0.462249
C -7.429701 0.515994 -0.411991
C -7.232242 1.826059 0.037620
H 4.737995 0.580517 -1.411504
H 4.234717 1.788826 1.396974
H 3.636454 2.457838 -0.130032
H 5.845049 -1.303932 -0.107290
H 5.553907 -0.440144 1.404509
H 5.693835 3.650482 0.601022
H 5.949489 2.846312 -0.952301
H 7.314499 0.534587 -0.949569
H 7.894602 -0.073538 0.605469
H 7.909145 2.448009 0.520174
H 6.872156 1.835997 1.815679
H 2.075901 0.891669 -1.392334
H 1.940397 1.246461 0.364925
H 3.207271 -1.608400 -1.814782
H 4.223395 -2.225850 -0.410696
H -0.632419 1.113448 -0.344951
H 0.096856 -3.818103 0.052617
H -2.217108 -2.890620 0.104767
H -3.919342 -1.534244 0.938461
H -4.006039 -1.660044 -0.873562
H -3.899540 1.645678 0.768497
H -6.524002 -1.401837 -0.796062
H -5.807394 3.254026 0.809426
H -8.416603 0.198410 -0.744346
H -8.064604 2.526685 0.055432


%chk=000241259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241259

0 1
O 2.317599 -2.507497 -0.372889
O -2.751264 -0.047540 -0.237198
N 3.372217 -0.325373 -0.246656
C 4.669609 0.419149 -0.334849
C 4.531535 1.856951 0.226796
C 5.782666 -0.332494 0.444544
C 5.877424 2.620884 0.195654
C 7.131171 0.425754 0.405305
C 6.986405 1.861388 0.956516
C 2.144372 0.427882 -0.602210
C 3.360087 -1.618830 -0.928417
C 0.917410 -0.469439 -0.463514
C 1.056764 -1.876717 -0.318497
C -0.377709 0.085948 -0.435294
C -0.073867 -2.694296 -0.115716
C -1.516236 -0.729215 -0.247313
C -1.365854 -2.128788 -0.077246
C -3.955947 -0.847901 -0.002815
C -5.162769 0.073041 0.035605
C -5.028022 1.467085 0.238336
C -6.458857 -0.484900 -0.100534
C -6.175760 2.289692 0.308851
C -7.605278 0.336166 -0.023923
C -7.467158 1.728891 0.181814
H 4.994622 0.514565 -1.406418
H 4.161137 1.790764 1.270247
H 3.785913 2.431785 -0.353449
H 5.932928 -1.351880 0.042225
H 5.439683 -0.448971 1.491278
H 5.734889 3.631272 0.625069
H 6.192703 2.765113 -0.858839
H 7.500423 0.471423 -0.640690
H 7.887702 -0.137061 0.985031
H 7.947904 2.404409 0.877381
H 6.727637 1.815405 2.034231
H 2.193269 0.847345 -1.642050
H 2.029674 1.280604 0.086632
H 3.147630 -1.520679 -2.024297
H 4.303997 -2.157084 -0.777865
H -0.522981 1.167021 -0.541151
H 0.070715 -3.772406 0.002611
H -2.228562 -2.782695 0.077115
H -3.853029 -1.389425 0.963424
H -4.071958 -1.604880 -0.807275
H -4.025418 1.894055 0.328105
H -6.575088 -1.563561 -0.268835
H -6.060758 3.368803 0.462469
H -8.601592 -0.107494 -0.130840
H -8.355280 2.368333 0.237637


