%chk=000214804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214804

0 1
O 0.287997 -0.955634 -0.047002
N 3.852595 -1.672424 -0.460408
C -2.022882 -0.531502 0.375624
C -0.804486 -0.109270 -0.515828
C -3.303083 0.034477 -0.268652
C -1.010977 -0.509463 -1.997088
C -2.046033 -2.065479 0.637190
C -3.530008 -0.488327 -1.690437
C -2.359329 -0.105345 -2.599395
C -0.462718 1.361631 -0.262062
C -3.454175 -2.630491 0.868861
C -1.169371 -2.403305 1.855366
C 0.092218 1.811526 0.958385
C -0.742569 2.314125 -1.254649
C 1.597448 -0.723766 -0.627546
C 0.418694 0.901377 2.116371
C 0.337246 3.185636 1.140977
C 2.491332 -1.691555 0.164651
C -0.484619 3.673039 -1.069624
C 0.059094 4.113105 0.138801
C 1.843863 1.085667 2.637480
C 4.656367 -0.519662 0.045488
C 4.568889 -2.956532 -0.199002
H -1.918187 -0.029030 1.369209
H -4.178152 -0.193902 0.367247
H -3.233189 1.141776 -0.287212
H -0.187886 -0.105693 -2.615409
H -0.907576 -1.615752 -2.044956
H -1.609676 -2.573986 -0.259403
H -3.649618 -1.590667 -1.669794
H -4.475316 -0.084570 -2.097568
H -2.477209 -0.580893 -3.591640
H -2.372048 0.991580 -2.783930
H -4.070471 -2.560979 -0.034922
H -3.406830 -3.689029 1.147459
H -3.976280 -2.105651 1.674894
H -1.619602 -2.060907 2.790935
H -1.007040 -3.481391 1.938120
H -0.178014 -1.927095 1.764103
H -1.190314 2.001425 -2.203741
H 1.882023 0.332313 -0.493632
H 1.573756 -0.974502 -1.700916
H -0.309421 1.087390 2.933133
H 0.281712 -0.173847 1.832778
H 0.752349 3.531472 2.087107
H 2.052321 -2.711826 0.097349
H 2.482321 -1.425057 1.242188
H -0.709932 4.383376 -1.861199
H 0.260635 5.170222 0.298736
H 2.578495 0.968283 1.831414
H 2.075394 0.344343 3.410209
H 1.996077 2.077705 3.077424
H 4.861685 -0.534800 1.125566
H 5.619302 -0.494899 -0.489580
H 4.131173 0.418914 -0.194556
H 5.549239 -2.927806 -0.701413
H 4.732125 -3.190330 0.862722
H 3.999161 -3.782315 -0.655424


%chk=000214804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214804

0 1
O 0.353265 -1.072627 -0.049868
N 4.025304 -1.606727 -0.542863
C -2.041638 -0.585429 0.390994
C -0.784489 -0.196543 -0.497575
C -3.295268 0.094301 -0.238279
C -1.066182 -0.569010 -1.989601
C -2.229897 -2.129875 0.647642
C -3.599589 -0.406462 -1.667233
C -2.410192 -0.088257 -2.594994
C -0.393832 1.291304 -0.256666
C -3.686261 -2.503105 1.037049
C -1.303335 -2.652984 1.778517
C -0.001739 1.785227 1.036074
C -0.411672 2.214504 -1.338408
C 1.643749 -0.861181 -0.725071
C 0.222480 0.915104 2.279185
C 0.240526 3.177260 1.186757
C 2.666924 -1.719175 0.038102
C -0.138870 3.588218 -1.174367
C 0.164807 4.083328 0.110512
C 1.647243 1.065933 2.875630
C 4.689957 -0.327467 -0.219146
C 4.879872 -2.764008 -0.207283
H -1.906417 -0.121291 1.386138
H -4.166062 -0.063020 0.422650
H -3.128347 1.189780 -0.274985
H -0.230181 -0.229620 -2.630083
H -1.046159 -1.675802 -2.022890
H -1.971656 -2.678245 -0.280753
H -3.785617 -1.498055 -1.659058
H -4.520585 0.071620 -2.053682
H -2.546158 -0.569946 -3.583428
H -2.393019 1.002634 -2.776236
H -4.421394 -2.297145 0.240289
H -3.740150 -3.583413 1.269328
H -4.004086 -1.954629 1.945230
H -1.541653 -2.147034 2.735863
H -1.458680 -3.738539 1.929641
H -0.245181 -2.474638 1.540277
H -0.641914 1.858789 -2.344668
H 1.914798 0.213755 -0.705000
H 1.607426 -1.197248 -1.779711
H -0.518203 1.192622 3.057750
H 0.070579 -0.144738 2.037653
H 0.505221 3.555985 2.181541
H 2.343645 -2.774133 -0.029548
H 2.642689 -1.439411 1.121718
H -0.170710 4.259836 -2.039630
H 0.354707 5.150684 0.270268
H 2.415103 0.785399 2.131542
H 1.764809 0.405029 3.754338
H 1.858411 2.100014 3.201838
H 4.865221 -0.192709 0.879974
H 5.668328 -0.280652 -0.729808
H 4.085680 0.524515 -0.574068
H 5.846353 -2.676356 -0.736071
H 5.095934 -2.857399 0.887942
H 4.392599 -3.697265 -0.540669


