%chk=000201009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201009

0 1
O -0.213865 0.988233 -0.568354
O 0.871197 1.444489 1.361356
N -3.664961 -0.946332 -0.583367
C -3.016210 -1.135070 0.764956
C -3.906680 0.541511 -0.593411
C -3.792717 -0.203402 1.743739
C -4.381937 0.904639 0.845792
C -1.554787 -0.669482 0.588846
C -2.536989 1.182339 -0.910426
C -1.495145 0.798821 0.148180
C -4.910518 -1.743643 -0.751689
C 0.904163 1.287751 0.162197
C 2.076048 1.414546 -0.776976
C 3.169575 0.434349 -0.449587
C 3.677006 0.351890 0.856519
C 3.701403 -0.380831 -1.458771
C 4.712985 -0.537825 1.146375
C 4.740363 -1.268130 -1.161241
C 5.248641 -1.347501 0.138499
H -3.045084 -2.195607 1.088310
H -4.651101 0.830387 -1.363201
H -3.135057 0.206280 2.525155
H -4.585258 -0.759660 2.266878
H -5.481117 0.922386 0.900784
H -4.040808 1.904947 1.150148
H -0.981272 -0.814781 1.521631
H -1.062841 -1.299938 -0.182579
H -2.187860 0.825046 -1.904256
H -2.626145 2.278496 -0.990077
H -1.499010 1.490978 1.016959
H -4.651190 -2.814513 -0.721361
H -5.328517 -1.541224 -1.751105
H -5.692774 -1.554369 -0.002511
H 2.474758 2.453686 -0.708766
H 1.729792 1.296148 -1.829867
H 3.247145 0.974307 1.645649
H 3.308490 -0.329536 -2.472146
H 5.103455 -0.601417 2.161080
H 5.152417 -1.900064 -1.946345
H 6.057105 -2.038704 0.366983


%chk=000201009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201009

0 1
O -0.125021 1.102381 -0.658232
O 0.734193 1.632380 1.449496
N -3.677998 -1.058807 -0.549787
C -2.921337 -1.132267 0.743790
C -3.876054 0.421034 -0.689968
C -3.666628 -0.137281 1.710567
C -4.308074 0.915397 0.741935
C -1.465703 -0.681441 0.456584
C -2.519134 1.031756 -1.129473
C -1.459598 0.777928 -0.044667
C -4.940274 -1.834709 -0.550233
C 0.887823 1.500543 0.211634
C 2.192820 1.733221 -0.544617
C 3.180376 0.584927 -0.326697
C 3.723443 0.337391 0.960483
C 3.564442 -0.246802 -1.407104
C 4.639516 -0.718928 1.158819
C 4.482743 -1.304037 -1.209486
C 5.024381 -1.542130 0.074109
H -2.919426 -2.169127 1.122153
H -4.640635 0.628907 -1.458390
H -2.973488 0.323302 2.436604
H -4.443159 -0.667112 2.290340
H -5.408334 0.923489 0.835436
H -3.955258 1.942833 0.942610
H -0.841468 -0.770147 1.364094
H -1.046758 -1.336733 -0.327984
H -2.204730 0.545005 -2.069493
H -2.619734 2.117451 -1.315237
H -1.590459 1.465699 0.811349
H -4.704170 -2.906475 -0.425397
H -5.438761 -1.711582 -1.528273
H -5.669091 -1.548367 0.245935
H 2.624114 2.675949 -0.160997
H 1.971721 1.854862 -1.616515
H 3.414643 0.966252 1.803511
H 3.144154 -0.067426 -2.404008
H 5.053086 -0.899893 2.157471
H 4.773333 -1.938207 -2.054729
H 5.737205 -2.360032 0.228368


