%chk=000189887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189887

0 1
O -2.345984 -0.306678 1.102942
O 3.737875 -0.224736 -0.659235
O -2.382702 1.714847 0.096689
O 2.311317 -2.100606 0.823102
O 2.377374 2.158213 -1.492034
N -6.024242 -0.531638 0.592172
C -6.641099 0.834774 0.492477
C -6.868850 -1.406533 -0.288515
C -7.389554 0.930068 -0.855679
C -7.529473 -0.516360 -1.364395
C -4.586650 -0.531007 0.177838
C -3.765303 -0.182852 1.425793
C -1.751735 0.733791 0.419583
C -0.311099 0.443901 0.179556
C 5.989867 -0.593350 -0.134954
C 4.574345 -0.983466 0.280174
C 2.419357 -0.038454 -0.307958
C 0.273076 -0.739188 0.655356
C 0.432031 1.383432 -0.529284
C 7.031331 -1.434489 0.613194
C 1.625814 -0.976812 0.406722
C 1.801511 1.144862 -0.772081
C 8.453158 -1.046292 0.216264
C 1.575534 -3.088716 1.588461
C 3.797490 2.083920 -1.782700
H -7.348976 0.923661 1.343683
H -5.891728 1.639381 0.608028
H -6.291298 -2.237592 -0.729805
H -7.638700 -1.862043 0.371241
H -8.372218 1.411671 -0.730375
H -6.828590 1.549333 -1.575544
H -7.033236 -0.640109 -2.341016
H -8.585486 -0.791625 -1.513941
H -4.289971 -1.536563 -0.189740
H -4.353713 0.182434 -0.643411
H -3.965435 0.834855 1.801035
H -3.875450 -0.926766 2.234796
H 6.156207 0.485290 0.052264
H 6.102466 -0.722286 -1.231019
H 4.349166 -2.053743 0.116653
H 4.325618 -0.696402 1.313147
H -0.343399 -1.452444 1.202050
H -0.022382 2.307257 -0.898676
H 6.867082 -2.510896 0.406046
H 6.902159 -1.311170 1.706898
H 9.192861 -1.653077 0.751403
H 8.665629 0.004573 0.444638
H 8.627607 -1.189636 -0.856581
H 0.761888 -3.505232 0.986770
H 1.210723 -2.653103 2.523188
H 2.350354 -3.842446 1.777402
H 4.370852 2.098881 -0.851509
H 3.948449 2.994736 -2.373175
H 4.016034 1.179632 -2.363036


%chk=000189887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189887

0 1
O -2.434235 -0.443104 1.255867
O 3.683758 -0.265499 -0.700019
O -2.462525 1.658992 0.238265
O 2.305951 -2.209225 0.730935
O 2.302770 2.218252 -1.387658
N -6.167869 -0.434551 0.655418
C -6.559939 0.960470 0.276793
C -7.147586 -1.286047 -0.077522
C -7.121412 0.898641 -1.194475
C -7.322222 -0.624543 -1.481074
C -4.743123 -0.739243 0.360956
C -3.885178 -0.282287 1.556170
C -1.831831 0.621287 0.566081
C -0.390972 0.365747 0.294151
C 6.030112 -0.803318 -0.390225
C 4.710584 -0.559378 0.343320
C 2.364382 -0.036295 -0.280828
C 0.241107 -0.836312 0.706518
C 0.339083 1.357677 -0.389922
C 7.180718 -1.147754 0.584692
C 1.602783 -1.033557 0.413028
C 1.712121 1.171211 -0.672138
C 8.518438 -1.392373 -0.146154
C 1.544206 -3.304162 1.339183
C 3.744665 2.497518 -1.270337
H -7.348022 1.309051 0.969796
H -5.696387 1.640804 0.371378
H -6.805768 -2.334328 -0.115478
H -8.110078 -1.260866 0.470218
H -8.074370 1.452061 -1.268111
H -6.419696 1.353437 -1.914608
H -6.545606 -0.996005 -2.174620
H -8.306578 -0.846576 -1.929469
H -4.630185 -1.830454 0.228063
H -4.366732 -0.245444 -0.563952
H -4.086872 0.775999 1.795521
H -4.065254 -0.914062 2.438752
H 6.296878 0.093868 -0.982989
H 5.885743 -1.631668 -1.110207
H 4.396274 -1.445511 0.921247
H 4.779081 0.316350 1.023267
H -0.349982 -1.588364 1.231267
H -0.147928 2.286196 -0.698901
H 6.908609 -2.048855 1.170941
H 7.305982 -0.324530 1.317770
H 9.327017 -1.638976 0.565865
H 8.829475 -0.495838 -0.714486
H 8.430903 -2.229957 -0.863184
H 0.716909 -3.627693 0.679291
H 1.139225 -3.013337 2.327515
H 2.268268 -4.123416 1.459569
H 4.063391 2.505871 -0.209988
H 3.862341 3.504293 -1.701261
H 4.339480 1.759003 -1.829330


