%chk=000271305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271305

0 1
O 0.242658 1.377036 -1.097601
O 1.723109 0.715721 2.503206
N -1.086965 0.313886 0.625566
N 2.368581 0.086252 1.398681
C 1.320811 -0.343792 0.406550
C 2.071391 -0.884820 -0.861589
C 0.256553 0.782855 0.206150
C -2.015546 1.466935 0.880126
C -1.720184 -0.700498 -0.273516
C -3.310748 0.963354 1.536851
C -3.004521 -1.241925 0.377995
C -3.991354 -0.105888 0.673778
C 1.051293 -1.432754 -1.880319
C 2.921498 0.211972 -1.521865
C 2.981945 -2.052746 -0.431712
H 0.798029 -1.218516 0.886657
H 0.530022 1.678345 0.835156
H -2.245927 2.025977 -0.052953
H -1.503058 2.176167 1.566603
H -1.001060 -1.539528 -0.422796
H -1.957268 -0.283620 -1.276464
H -3.993390 1.815152 1.708962
H -3.076401 0.541995 2.535057
H -2.746701 -1.764441 1.321017
H -3.467558 -1.995833 -0.283459
H -4.885175 -0.501317 1.190321
H -4.353790 0.341048 -0.271207
H 0.506464 -0.627157 -2.393978
H 1.551878 -2.019009 -2.659782
H 0.312149 -2.089964 -1.401435
H 3.273528 -0.096662 -2.511550
H 3.813590 0.450609 -0.933437
H 2.353410 1.145267 -1.650745
H 3.705787 -1.744717 0.334110
H 2.407765 -2.881518 -0.006339
H 3.554680 -2.443062 -1.278514
H 2.917829 0.872727 1.020089
H 0.104083 0.717431 -1.814811
H 1.537294 -0.042961 3.138297


%chk=000271305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271305

0 1
O 0.298842 1.606947 -1.060831
O 1.741871 0.605870 2.601003
N -1.154211 0.362508 0.543281
N 2.383849 0.183951 1.304944
C 1.305101 -0.309481 0.373015
C 2.072339 -0.893043 -0.885628
C 0.193757 0.804624 0.217654
C -2.092370 1.481584 0.827734
C -1.773155 -0.716018 -0.259305
C -3.358693 0.978256 1.549404
C -3.040583 -1.265226 0.433047
C -4.048353 -0.132050 0.725547
C 1.115149 -1.442191 -1.978998
C 3.035110 0.156465 -1.517655
C 2.920775 -2.105414 -0.395968
H 0.831005 -1.159128 0.900033
H 0.432549 1.586933 0.957842
H -2.387346 2.003923 -0.113843
H -1.560575 2.219686 1.455685
H -1.043571 -1.533367 -0.382506
H -2.056158 -0.362591 -1.284896
H -4.047857 1.829114 1.713248
H -3.073279 0.579388 2.542134
H -2.744758 -1.747426 1.385124
H -3.497813 -2.041710 -0.210654
H -4.931717 -0.526633 1.262196
H -4.413916 0.293472 -0.232506
H 0.452980 -0.680820 -2.432617
H 1.721952 -1.866145 -2.801010
H 0.475544 -2.254764 -1.589733
H 3.469884 -0.250853 -2.449636
H 3.879806 0.379400 -0.840144
H 2.513122 1.099303 -1.753560
H 3.597496 -1.799442 0.418158
H 2.272833 -2.920100 -0.018883
H 3.523162 -2.510175 -1.231273
H 2.744579 1.088291 0.946213
H 0.112510 1.010530 -1.829479
H 2.074841 -0.081673 3.233963


