%chk=000259302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259302

0 1
O 0.197232 0.425577 -1.590148
N 2.578520 1.955836 -1.055467
C 0.778778 1.468879 0.608266
C 2.315004 1.465746 0.338021
C -0.021346 0.401300 -0.172163
C 0.170656 2.856649 0.353531
C -1.258111 2.911953 0.904212
C -1.520648 0.538211 0.052349
C 2.892473 0.105115 0.676964
C -2.076214 1.698332 0.552473
C 3.434306 1.084178 -1.918403
C 3.240226 -0.809925 -0.334222
C 3.060620 -0.394635 -1.761203
C -2.369345 -0.574736 -0.286592
C -3.486859 1.780687 0.787516
C 3.068276 -0.252742 2.020823
C -3.763584 -0.488317 -0.035078
C 3.742907 -2.073041 0.005931
C -4.304310 0.718176 0.513141
C -1.861677 -1.774434 -0.883811
C 3.570947 -1.512692 2.355730
C 3.904279 -2.423702 1.348318
C -4.610812 -1.599861 -0.341442
C -2.694659 -2.825445 -1.174725
C -4.088563 -2.742680 -0.892787
H 0.652468 1.222780 1.696073
H 2.761827 2.208474 1.059296
H 0.329654 -0.621090 0.115953
H 0.167372 3.068190 -0.736001
H 0.786060 3.649331 0.814480
H -1.761407 3.826681 0.527411
H -1.234487 3.016894 2.010086
H 3.010649 2.885342 -0.999783
H 4.518812 1.218153 -1.712027
H 3.254791 1.411419 -2.967826
H 3.647879 -1.016810 -2.459316
H 1.982037 -0.538495 -2.042936
H -3.896696 2.704677 1.191447
H 2.810664 0.449098 2.812275
H 0.504903 1.319984 -1.878558
H 4.005985 -2.782292 -0.776107
H -5.375917 0.773421 0.699365
H -0.798462 -1.826412 -1.129235
H 3.701343 -1.784845 3.400920
H 4.291707 -3.406805 1.609980
H -5.675480 -1.517252 -0.130631
H -2.305604 -3.734231 -1.630482
H -4.724095 -3.593740 -1.128017


%chk=000259302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259302

0 1
O 0.102777 0.384502 -1.629435
N 2.406633 1.683740 -1.284413
C 0.729104 1.464611 0.545380
C 2.248825 1.382501 0.178196
C -0.121295 0.378436 -0.169181
C 0.125076 2.861773 0.279524
C -1.257559 2.944003 0.954766
C -1.617135 0.550305 0.096493
C 2.871380 0.026741 0.543608
C -2.139224 1.739352 0.634583
C 3.688955 1.240459 -1.889731
C 3.555209 -0.779003 -0.408378
C 3.731248 -0.296136 -1.841187
C -2.505356 -0.548960 -0.214705
C -3.544342 1.840662 0.908401
C 2.782228 -0.422830 1.886397
C -3.918733 -0.435897 0.082276
C 4.102662 -2.021639 -0.000539
C -4.411908 0.783485 0.652913
C -2.036226 -1.762021 -0.824395
C 3.328898 -1.659756 2.283378
C 3.987971 -2.471562 1.330600
C -4.794251 -1.534458 -0.205089
C -2.912114 -2.816784 -1.094998
C -4.302799 -2.709100 -0.777632
H 0.654142 1.274139 1.635612
H 2.768547 2.161466 0.788133
H 0.197857 -0.608712 0.232250
H 0.006038 3.015784 -0.810931
H 0.786994 3.660472 0.671942
H -1.782149 3.870667 0.651280
H -1.121517 3.014972 2.055500
H 2.219962 2.679622 -1.461794
H 4.573392 1.658135 -1.356152
H 3.717536 1.601569 -2.933383
H 4.689617 -0.664403 -2.251951
H 2.921022 -0.695012 -2.482551
H -3.930671 2.777619 1.329762
H 2.280860 0.203321 2.634251
H 1.020330 0.830907 -1.760087
H 4.630851 -2.636219 -0.740255
H -5.482169 0.873346 0.875174
H -0.985425 -1.836008 -1.117241
H 3.244373 -1.987628 3.325195
H 4.416382 -3.435524 1.626488
H -5.861002 -1.433664 0.030200
H -2.535089 -3.731691 -1.565980
H -4.977804 -3.544683 -0.994693


