%chk=000190571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190571

0 1
O -0.580883 1.521364 -1.948931
O -1.847432 -1.771923 -1.061493
O -1.669964 1.468769 0.839952
O -3.313897 -2.197374 0.614423
O -3.813638 1.525957 0.085634
N 4.230862 -0.137062 1.358428
C -1.067572 0.153256 -2.045193
C 0.395617 0.434831 -1.782808
C -1.934402 -0.322641 -0.891677
C 0.938640 0.216829 -0.414248
C -1.415011 0.068376 0.509511
C 0.088487 -0.002386 0.656258
C 2.359838 0.186808 -0.214352
C 0.611219 -0.269203 1.959820
C 2.865588 -0.086577 1.089220
C 1.961725 -0.317100 2.177491
C 3.316239 0.427935 -1.252638
C -2.634270 -2.610847 -0.290397
C -2.879692 2.083748 0.609388
C 4.658103 0.381129 -0.975931
C 5.081114 0.087890 0.362800
C -2.435747 -4.001125 -0.779302
C -2.775548 3.482732 1.108229
H -1.416236 -0.139260 -3.040048
H 1.113264 0.388379 -2.610618
H -3.008654 -0.023668 -1.014642
H -1.957165 -0.530967 1.284654
H -0.089680 -0.426309 2.782415
H 2.382985 -0.521120 3.164635
H 2.960056 0.654180 -2.259998
H 5.407894 0.563001 -1.742396
H 6.152274 0.043476 0.600004
H -1.669925 -4.068052 -1.569634
H -3.375508 -4.405659 -1.190294
H -2.129495 -4.665714 0.044838
H -2.881925 4.196346 0.274453
H -1.805910 3.686332 1.593062
H -3.574548 3.699949 1.833684


%chk=000190571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190571

0 1
O -0.564622 1.231590 -2.255413
O -1.931911 -1.922778 -0.624111
O -1.937336 1.587165 0.442312
O -3.607823 -2.146150 -2.233496
O -2.328191 1.431890 2.743821
N 4.258290 0.213500 1.414306
C -1.036331 -0.181091 -2.075591
C 0.415436 0.112230 -1.856581
C -1.920496 -0.441913 -0.868500
C 0.970353 0.168224 -0.476772
C -1.413705 0.172003 0.443577
C 0.092694 0.169877 0.626021
C 2.396220 0.196707 -0.253643
C 0.607010 0.167622 1.961360
C 2.901089 0.195296 1.107762
C 1.979060 0.177487 2.200501
C 3.376065 0.243214 -1.302606
C -2.852079 -2.668762 -1.385478
C -2.357009 2.095751 1.682647
C 4.734726 0.268345 -0.985002
C 5.130524 0.244748 0.390218
C -2.777052 -4.135534 -1.029117
C -2.808445 3.529508 1.527641
H -1.360369 -0.671788 -3.001489
H 1.100336 -0.138856 -2.671892
H -2.953360 -0.106722 -1.072048
H -1.891970 -0.349181 1.292765
H -0.103453 0.164586 2.794569
H 2.392682 0.172177 3.212834
H 3.069098 0.277191 -2.352235
H 5.497771 0.310536 -1.768320
H 6.193676 0.257196 0.659350
H -2.116322 -4.306603 -0.167649
H -2.400238 -4.703859 -1.898029
H -3.791137 -4.509660 -0.809298
H -3.431609 3.646669 0.626468
H -1.923304 4.178798 1.401282
H -3.361465 3.844885 2.424135


