%chk=000193902.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193902

0 1
O -1.636241 -2.465880 -0.891803
O -0.595383 -0.366696 -0.904207
O -3.926260 0.536654 0.874368
O -1.912630 -1.523203 2.146552
O -4.950443 -0.883119 -1.389362
O -3.606906 -3.055684 -3.583977
O -1.868664 -1.650694 -3.698697
O 0.802158 -0.482784 1.975604
N 2.046296 0.549172 0.345966
N 2.181299 2.947041 0.202414
C -3.442312 -0.762253 0.509099
C -1.965870 -0.761901 0.938393
C -3.577062 -0.921602 -1.025600
C -1.030364 -1.447201 -0.091241
C -2.907805 -2.227214 -1.496547
C -2.678256 -2.218834 -3.010679
C 0.444228 -0.642958 -1.870765
C 1.656290 -1.306720 -1.275568
C 2.410458 -0.740636 -0.229252
C 2.061994 -2.550913 -1.783917
C 3.532800 -1.397511 0.299386
C 2.517333 1.758006 -0.253168
C 1.168242 0.575180 1.489004
C 0.805433 1.914571 1.958540
C 3.183414 -3.206200 -1.270863
C 3.916643 -2.631759 -0.227435
C 1.312766 3.062887 1.305045
C 3.436675 1.641573 -1.420841
C -0.065707 2.068346 3.062007
C 0.951102 4.355737 1.758550
C -0.413646 3.335498 3.496384
C 0.097110 4.478825 2.840598
H -4.020524 -1.527389 1.076329
H -1.625611 0.288473 1.132378
H -3.153061 -0.022402 -1.548559
H -0.188386 -2.019301 0.367508
H -3.505887 -3.133133 -1.215669
H -4.786678 0.714455 0.423423
H 0.657707 0.378093 -2.246083
H -0.017783 -1.244905 -2.684266
H -1.033682 -1.369712 2.592774
H -5.436951 -1.674789 -1.067952
H 1.485355 -3.016803 -2.586373
H -3.539780 -3.092426 -4.576201
H 4.088704 -0.953402 1.125538
H 3.481211 -4.172161 -1.678444
H 4.784621 -3.149690 0.181031
H 2.962009 1.129569 -2.272379
H 4.353133 1.084913 -1.168091
H 3.751821 2.639492 -1.779432
H -0.454094 1.174604 3.557645
H 1.351707 5.228437 1.241082
H -1.087476 3.461416 4.342817
H -0.192343 5.468931 3.197933


%chk=000193902-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193902

0 1
O -1.681310 -2.594234 -1.010728
O -0.578898 -0.431898 -0.899496
O -4.265173 -0.313152 1.422665
O -1.642364 -1.587457 2.265467
O -5.171270 -1.253928 -0.998350
O -4.067820 -1.488760 -3.605315
O -1.787054 -1.900775 -3.792668
O 0.863376 -0.414579 2.024646
N 2.106509 0.603008 0.320990
N 2.234927 2.993209 0.050703
C -3.458494 -1.283446 0.688083
C -1.981868 -1.005068 0.978804
C -3.723170 -1.119849 -0.820580
C -1.057709 -1.579431 -0.140691
C -2.966034 -2.232033 -1.603053
C -2.807619 -1.873214 -3.083707
C 0.536747 -0.727259 -1.840452
C 1.747334 -1.365168 -1.178454
C 2.495933 -0.721927 -0.155330
C 2.166478 -2.654493 -1.591564
C 3.613934 -1.343640 0.436494
C 2.585733 1.771928 -0.321294
C 1.225590 0.658166 1.444627
C 0.819179 2.011366 1.840576
C 3.293090 -3.281592 -1.014320
C 4.019384 -2.625388 0.004733
C 1.339185 3.138431 1.125492
C 3.554679 1.601620 -1.465932
C -0.086724 2.202704 2.918062
C 0.943068 4.448596 1.511557
C -0.472551 3.501708 3.283432
C 0.047140 4.625248 2.578297
H -3.705354 -2.321751 0.994224
H -1.844371 0.096008 0.981332
H -3.383420 -0.113788 -1.141535
H -0.222309 -2.141966 0.308811
H -3.593528 -3.144549 -1.550612
H -5.194794 -0.406765 1.084239
H 0.768254 0.269726 -2.255164
H 0.159037 -1.375668 -2.650211
H -0.724046 -1.258772 2.490378
H -5.374932 -1.129780 -1.962394
H 1.588058 -3.170471 -2.366404
H -3.980318 -1.271633 -4.572554
H 4.150806 -0.828028 1.239773
H 3.593569 -4.280274 -1.348495
H 4.885681 -3.109200 0.467829
H 3.114675 1.025248 -2.299511
H 4.466186 1.063249 -1.150348
H 3.829409 2.603118 -1.825796
H -0.475667 1.324738 3.444161
H 1.353515 5.295565 0.953934
H -1.176237 3.652137 4.108371
H -0.257737 5.636159 2.870277


