%chk=000245471.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245471

0 1
O 5.482998 0.777463 0.281118
O -5.541472 0.362791 -0.001026
N -3.542683 -0.719003 0.074708
C 2.217623 -0.759860 -0.390429
C 2.989670 0.535471 0.015749
C 0.779036 -0.737740 0.140323
C 0.047757 0.484823 -0.480022
C -1.399186 0.599391 0.104304
C 2.314913 1.708899 -0.713244
C 0.835228 1.802311 -0.300792
C 4.426368 0.171416 -0.480761
C 3.156890 -1.901218 0.037956
C 4.571854 -1.352296 -0.250496
C 0.038319 -2.034084 -0.232718
C 3.023446 0.784707 1.528831
C -2.110095 -0.754794 -0.009894
C -2.180025 1.639304 -0.735825
C -1.448999 -1.920171 -0.141864
C -1.374867 0.987465 1.592130
C -3.629093 1.767628 -0.285689
C -4.323726 0.444069 -0.072580
C -4.274078 -1.996725 0.288080
H 2.157884 -0.788283 -1.510382
H 0.786915 -0.633335 1.252621
H -0.047340 0.293135 -1.578372
H 2.395741 1.581256 -1.808962
H 2.825260 2.661224 -0.482911
H 0.779220 2.131419 0.756286
H 0.347259 2.601765 -0.891387
H 4.590003 0.458512 -1.538525
H 2.957590 -2.829806 -0.517510
H 3.035105 -2.142852 1.107135
H 5.259904 -1.531332 0.597167
H 5.027584 -1.840868 -1.125107
H 0.389987 -2.857481 0.422947
H 0.303352 -2.344452 -1.267091
H 3.388740 1.788165 1.765949
H 2.029818 0.678407 1.979207
H 3.691045 0.072508 2.032422
H -2.145363 1.347372 -1.805342
H -1.683932 2.627662 -0.675583
H -1.962786 -2.876525 -0.215792
H -0.979007 1.997440 1.740642
H -2.375016 0.954920 2.039030
H -0.746700 0.294635 2.167344
H -4.218114 2.354490 -1.024538
H -3.700872 2.347772 0.660864
H 5.293260 1.717334 0.451043
H -4.191244 -2.651501 -0.594184
H -5.352242 -1.793081 0.454926
H -3.885928 -2.521949 1.175043


%chk=000245471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245471

0 1
O 5.586416 0.889202 -0.039755
O -5.650396 0.353610 0.009771
N -3.581522 -0.732992 0.037953
C 2.239120 -0.756341 -0.312272
C 3.038740 0.525989 0.064975
C 0.776590 -0.746163 0.172288
C 0.044376 0.509186 -0.399317
C -1.437446 0.614233 0.121859
C 2.338444 1.728752 -0.608543
C 0.850624 1.823559 -0.174164
C 4.427787 0.133355 -0.535372
C 3.174997 -1.923473 0.106450
C 4.615245 -1.360036 -0.145825
C 0.039388 -2.029129 -0.270741
C 3.176804 0.745718 1.592676
C -2.143107 -0.743676 -0.037344
C -2.219800 1.640989 -0.750527
C -1.466274 -1.919547 -0.200035
C -1.495860 1.035379 1.624341
C -3.687980 1.753008 -0.312670
C -4.385027 0.417094 -0.080651
C -4.290980 -2.018761 0.207314
H 2.191567 -0.769331 -1.427934
H 0.761879 -0.703671 1.280827
H -0.022308 0.349503 -1.500801
H 2.394706 1.608685 -1.711968
H 2.847763 2.683057 -0.359278
H 0.812069 2.107319 0.893891
H 0.373808 2.652053 -0.731873
H 4.363332 0.240411 -1.643176
H 2.978867 -2.841095 -0.475687
H 3.028734 -2.179962 1.172812
H 5.239876 -1.402563 0.763969
H 5.152247 -1.914208 -0.934577
H 0.380366 -2.887700 0.342625
H 0.336346 -2.277524 -1.315163
H 3.830333 1.614132 1.790557
H 2.202278 0.933357 2.074061
H 3.639232 -0.122148 2.093639
H -2.165043 1.321846 -1.810268
H -1.744766 2.636552 -0.685131
H -2.020082 -2.857439 -0.320201
H -1.264530 2.108775 1.752072
H -2.496943 0.855116 2.052894
H -0.776359 0.452351 2.225318
H -4.294774 2.298054 -1.057293
H -3.775900 2.329541 0.628400
H 5.536647 1.817501 -0.382071
H -4.218719 -2.638360 -0.706040
H -5.349913 -1.790356 0.398178
H -3.860853 -2.577454 1.056605


