%chk=000297080.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297080

0 1
O 2.092363 -2.948464 1.040493
O -3.722051 -0.960132 0.523613
O -3.946068 3.022673 -0.489459
N 3.774922 0.093585 0.128067
N -0.371181 -0.805236 -0.557518
N 4.237173 -2.124144 0.818247
C 2.481572 -0.681027 0.067808
C 1.964093 -0.932800 -1.361400
C 1.424514 0.046383 0.918539
C 0.601543 -1.642573 -1.337786
C 0.073737 -0.679650 0.871633
C 2.844501 -2.051125 0.720617
C 4.903423 -0.841122 0.470351
C 4.039875 1.139923 -0.811782
C -1.743745 -1.400622 -0.631107
C 4.956184 -3.139050 1.604495
C 5.304337 1.292718 -1.415148
C 3.039235 2.109410 -1.048900
C -2.750280 -0.343289 -0.268772
C 5.556385 2.398276 -2.231592
C 3.307999 3.200955 -1.869798
C -2.801243 0.951699 -0.616348
C 4.565908 3.353359 -2.466383
C -4.793573 -0.184903 0.960785
C -3.886375 1.846899 -0.192014
C -4.916939 1.173856 0.642849
C -5.734343 -0.874031 1.744934
C -6.037495 1.867629 1.136990
C -6.829794 -0.158110 2.217200
C -6.983415 1.207818 1.915792
H 1.859139 0.033855 -1.899949
H 2.690677 -1.528738 -1.944370
H 1.305477 1.087492 0.533992
H 1.767983 0.149515 1.965381
H 0.716515 -2.670156 -0.919162
H 0.223874 -1.744569 -2.377831
H -0.685135 -0.082697 1.422904
H 0.157274 -1.667668 1.384157
H 5.458244 -0.407391 1.336540
H 5.615384 -1.008164 -0.374731
H -1.949146 -1.731028 -1.679099
H -1.883667 -2.303601 0.011977
H 5.826993 -3.510828 1.039080
H 4.280361 -3.996915 1.798028
H 5.297712 -2.747950 2.577382
H 6.092607 0.560618 -1.259416
H 2.057649 2.012174 -0.573646
H 6.538518 2.510210 -2.690989
H 2.530681 3.945617 -2.045880
H -2.010584 1.398519 -1.227679
H 4.767611 4.209667 -3.104318
H -5.594437 -1.929427 1.965045
H -6.142346 2.929944 0.893624
H -7.580287 -0.661157 2.829385
H -7.848859 1.747475 2.296272


%chk=000297080-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297080

0 1
O 2.479312 -3.171174 1.072466
O -3.959662 -0.965161 0.578509
O -3.333005 3.151192 0.108440
N 3.809782 -0.142646 -0.351820
N -0.377749 -1.120766 -0.290558
N 4.517007 -2.057163 0.712159
C 2.572166 -0.930363 -0.074008
C 1.839481 -1.369321 -1.383859
C 1.600227 -0.191357 0.903223
C 0.469969 -2.024059 -1.115525
C 0.240458 -0.901182 1.047446
C 3.142864 -2.186569 0.633935
C 5.026109 -0.816795 0.130946
C 3.916812 1.112734 -0.975593
C -1.772962 -1.585266 -0.190256
C 5.394374 -3.051587 1.322971
C 5.207747 1.709602 -1.137640
C 2.788916 1.842831 -1.467530
C -2.737351 -0.456695 0.116437
C 5.356723 2.967342 -1.756484
C 2.955889 3.099042 -2.082451
C -2.511260 0.886018 -0.046987
C 4.235832 3.679542 -2.236642
C -5.001390 -0.058802 0.873914
C -3.529581 1.898503 0.248864
C -4.828506 1.342613 0.730363
C -6.214532 -0.623266 1.322316
C -5.921597 2.188945 1.053530
C -7.282574 0.238240 1.635362
C -7.137953 1.646921 1.501657
H 1.689677 -0.484899 -2.024636
H 2.485431 -2.073335 -1.941645
H 1.429807 0.834245 0.536717
H 2.080576 -0.106897 1.896182
H 0.614603 -3.011627 -0.620129
H -0.037600 -2.193680 -2.083893
H -0.432902 -0.261044 1.645988
H 0.369310 -1.868214 1.586428
H 5.564251 -0.211697 0.896533
H 5.742172 -1.030400 -0.695499
H -2.070109 -2.031905 -1.160197
H -1.920688 -2.385577 0.576764
H 6.123456 -3.446433 0.590207
H 4.759742 -3.878941 1.680377
H 5.947328 -2.624654 2.181134
H 6.106919 1.197566 -0.781616
H 1.776215 1.445446 -1.375675
H 6.362502 3.391047 -1.860763
H 2.066722 3.629399 -2.442294
H -1.532750 1.196727 -0.419593
H 4.354200 4.657079 -2.714508
H -6.300231 -1.709643 1.417159
H -5.772903 3.267726 0.937465
H -8.231048 -0.183667 1.984606
H -7.976727 2.305728 1.748802


