%chk=000217062.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217062

0 1
O 0.391707 -0.730272 1.156739
N -1.586197 -1.512356 -0.666187
N -0.199948 -1.396120 -0.933914
C -2.321212 -0.204826 -0.852651
C -3.799605 -0.579894 -1.094581
C -2.190760 0.748029 0.352242
C -4.638849 0.685516 -1.313855
C -3.031385 2.010679 0.132894
C -4.502301 1.660859 -0.135916
C 2.201089 -1.037607 -0.462192
C 2.918992 -2.275459 0.111223
C 2.877076 0.284992 -0.059911
C 0.751929 -1.023679 0.027420
C 3.048601 -2.270341 1.640344
C 2.393665 1.461755 -0.918446
C 3.599069 -3.595316 2.160485
C 3.071720 2.766591 -0.508148
H -1.920119 0.301765 -1.766630
H -3.878860 -1.252332 -1.969707
H -4.196491 -1.152736 -0.235224
H -2.509522 0.238942 1.282343
H -1.127747 1.011034 0.522078
H -4.328804 1.184844 -2.251829
H -5.700753 0.408411 -1.452328
H -2.956203 2.667556 1.019972
H -2.622428 2.593869 -0.714079
H -4.950181 1.213564 0.772326
H -5.078320 2.582059 -0.340164
H -1.712943 -1.840849 0.313020
H 2.234634 -1.120552 -1.578189
H 2.379187 -3.188659 -0.210989
H 3.926367 -2.346777 -0.344531
H 2.674530 0.494280 1.012464
H 3.975393 0.179445 -0.145135
H 0.036894 -1.694364 -1.878687
H 3.703751 -1.438420 1.963267
H 2.059051 -2.060992 2.103392
H 2.590317 1.259986 -1.989171
H 1.294099 1.569219 -0.823522
H 3.702589 -3.574447 3.251848
H 2.937170 -4.433547 1.914508
H 4.586221 -3.819448 1.742022
H 4.160478 2.711191 -0.619019
H 2.721088 3.604844 -1.120755
H 2.861505 3.017264 0.538771


%chk=000217062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217062

0 1
O 0.391506 -0.601203 1.289330
N -1.570426 -1.465229 -0.523552
N -0.195400 -1.244290 -0.856895
C -2.482880 -0.342313 -0.933442
C -3.914431 -0.733793 -0.504513
C -2.097348 1.050808 -0.371813
C -4.942867 0.343422 -0.926470
C -3.120587 2.126373 -0.810891
C -4.557228 1.740958 -0.384238
C 2.204889 -0.905031 -0.383487
C 2.889951 -2.254649 0.010476
C 2.965667 0.332385 0.155973
C 0.745626 -0.880313 0.096785
C 3.078210 -2.490387 1.527301
C 2.491734 1.665711 -0.464492
C 3.661942 -3.888852 1.822053
C 3.272321 2.881332 0.079588
H -2.452031 -0.297284 -2.042227
H -4.170943 -1.717632 -0.939635
H -3.939301 -0.847172 0.600597
H -2.060083 0.991681 0.734579
H -1.079009 1.322367 -0.710336
H -4.994625 0.383850 -2.034428
H -5.951371 0.056869 -0.571020
H -2.842476 3.108348 -0.381925
H -3.086983 2.239809 -1.915048
H -4.616452 1.730946 0.723793
H -5.280799 2.500658 -0.738508
H -1.598523 -1.586267 0.505922
H 2.203339 -0.854176 -1.495083
H 2.300587 -3.095904 -0.411159
H 3.881700 -2.286744 -0.487179
H 2.834172 0.377313 1.253206
H 4.049081 0.196516 -0.041184
H 0.095464 -1.609815 -1.765495
H 3.751861 -1.716597 1.943379
H 2.108356 -2.366267 2.043427
H 2.598039 1.619367 -1.568493
H 1.411583 1.799924 -0.254107
H 3.807200 -4.042196 2.907136
H 2.987030 -4.686598 1.457169
H 4.642748 -4.028239 1.327653
H 4.354158 2.788405 -0.134336
H 2.918143 3.825917 -0.372726
H 3.152949 2.965695 1.175912


