%chk=000229727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229727

0 1
O 3.410673 2.770891 0.208662
O 7.330794 0.350822 -0.141415
O -6.494512 -1.463257 -0.773480
O -5.362135 2.999188 -0.346010
N 1.921123 0.065104 -0.060558
N 5.377044 -0.861633 -0.222218
N 3.092145 -1.893825 -0.278712
N -3.664656 -2.102546 0.295467
N 5.367633 1.566861 0.028705
N -3.745525 1.476003 0.252965
N -2.204205 -0.421344 0.834425
N -5.935369 0.765423 -0.568412
C 0.562431 -2.078540 -0.236565
C 0.035212 -2.324301 1.185480
C 1.839337 -1.315758 -0.197111
C -1.413810 -2.828435 1.184551
C 3.286925 0.398431 -0.054036
C 3.984010 -0.835913 -0.192074
C -2.393551 -1.782959 0.774297
C -4.324111 -0.886071 0.041725
C -3.401118 0.135985 0.385200
C 3.934422 1.681090 0.073011
C 0.827701 1.033547 0.034374
C 6.114395 0.357587 -0.113922
C -5.657155 -0.643011 -0.459988
C 6.097316 -2.149082 -0.371737
C -5.048827 1.830874 -0.232513
C 6.180423 2.809823 0.141281
C -2.788452 2.544527 0.627291
C -7.274045 1.183389 -1.071597
H -0.192606 -1.532734 -0.844557
H 0.731208 -3.048552 -0.758425
H 0.103793 -1.392218 1.787832
H 0.685275 -3.063041 1.698900
H -1.500414 -3.725307 0.532480
H -1.674020 -3.176869 2.213053
H -4.083109 -3.005646 0.146596
H 0.339986 1.174340 -0.947572
H 0.055837 0.696023 0.757081
H 1.213888 2.023319 0.364743
H 5.807205 -2.640815 -1.317378
H 5.845058 -2.826135 0.463682
H 7.190586 -1.975601 -0.377128
H 5.514813 3.686074 0.256616
H 6.799781 2.946810 -0.761959
H 6.851772 2.752228 1.015459
H -3.295794 3.530243 0.613737
H -1.947126 2.574818 -0.086010
H -2.389879 2.365171 1.641798
H -7.885245 0.290504 -1.304078
H -7.168214 1.792105 -1.986402
H -7.799408 1.787913 -0.311855


%chk=000229727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229727

0 1
O 3.636342 2.879615 0.319453
O 7.487581 0.184673 -0.077540
O -6.663280 -1.643381 -0.557593
O -5.555769 2.946458 -0.417964
N 2.024579 0.221047 -0.062548
N 5.406660 -0.893271 -0.209962
N 3.098606 -1.781551 -0.318312
N -3.733523 -2.124836 0.343806
N 5.553079 1.497310 0.105578
N -3.871301 1.415578 0.154504
N -2.282220 -0.417073 0.704915
N -6.085650 0.663665 -0.481694
C 0.563361 -1.853309 -0.283367
C 0.031628 -2.192252 1.139057
C 1.886841 -1.152035 -0.239158
C -1.397815 -2.778483 1.121967
C 3.404146 0.489809 -0.034115
C 4.026066 -0.759767 -0.191844
C -2.443782 -1.773925 0.716938
C -4.440991 -0.946532 0.085466
C -3.521343 0.084342 0.316002
C 4.129581 1.720010 0.143455
C 0.948962 1.229730 -0.005803
C 6.224951 0.251702 -0.063807
C -5.800602 -0.739560 -0.335378
C 6.028369 -2.219642 -0.384079
C -5.188613 1.749022 -0.257375
C 6.437939 2.674131 0.266201
C -2.895231 2.493268 0.404746
C -7.450964 1.049079 -0.909126
H -0.180865 -1.229149 -0.810192
H 0.696731 -2.785036 -0.860439
H 0.034399 -1.282711 1.766443
H 0.715848 -2.920160 1.611666
H -1.442665 -3.654581 0.443821
H -1.639011 -3.159097 2.135565
H -4.124968 -3.063962 0.267821
H 0.686132 1.566764 -1.025451
H 0.054147 0.802561 0.475479
H 1.316486 2.100502 0.557673
H 5.705166 -2.665769 -1.339462
H 5.726293 -2.890656 0.437551
H 7.118834 -2.078357 -0.378783
H 5.791056 3.555242 0.386884
H 7.083913 2.784758 -0.619971
H 7.084111 2.544565 1.149756
H -3.421964 3.451635 0.290352
H -2.066093 2.437075 -0.321735
H -2.485785 2.402007 1.424514
H -8.028011 0.121563 -1.036801
H -7.406373 1.610472 -1.856483
H -7.917490 1.694012 -0.146932


