%chk=000259566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259566

0 1
O 4.331968 -0.321559 0.734817
O 3.086491 2.510524 1.859286
O 3.333604 2.262205 -1.446232
O 4.901590 0.517184 -2.746027
O -2.118639 -2.785314 0.199393
N 2.043188 -0.772336 0.933820
N 1.015860 -2.676235 0.164129
N -0.001598 0.539438 1.571780
N -2.037516 -0.703900 1.160898
C 2.875283 1.610445 0.776907
C 3.122469 0.170987 1.319759
C 4.002440 1.852275 -0.257665
C 4.728619 0.489513 -0.407033
C 4.345520 -0.281507 -1.677743
C 0.670085 -0.574992 1.070644
C 2.198357 -2.085334 0.376104
C 0.044572 -1.762160 0.588614
C -1.395519 -1.897159 0.581042
C -1.327285 0.426603 1.582976
C -3.529707 -0.670545 1.209881
C -4.085120 0.163044 0.081982
C -4.036541 -0.330313 -1.230311
C -4.651193 1.418740 0.339188
C -4.552146 0.433167 -2.280071
C -5.168376 2.177013 -0.715780
C -5.118409 1.686964 -2.024440
H 1.871854 1.765375 0.316959
H 3.293165 0.131266 2.425205
H 4.685660 2.668655 0.067774
H 5.832077 0.570693 -0.296518
H 3.249209 -0.355684 -1.806688
H 4.801841 -1.286822 -1.692952
H 2.217894 2.770623 2.250095
H 3.931592 2.148016 -2.239288
H 3.179629 -2.500215 0.185333
H 4.689896 0.108178 -3.611333
H -1.911888 1.285828 1.957810
H -3.861819 -0.304321 2.205739
H -3.905631 -1.726444 1.126805
H -3.594886 -1.311011 -1.425526
H -4.698324 1.806154 1.354393
H -4.513562 0.049860 -3.299220
H -5.611096 3.151785 -0.516481
H -5.520609 2.280014 -2.844222


%chk=000259566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259566

0 1
O 4.064697 -0.681045 -0.027280
O 2.149929 2.269613 0.935896
O 3.980151 2.109685 -1.906846
O 6.611003 1.287902 -1.837435
O -2.540153 -2.830762 0.657035
N 1.783091 -1.004332 0.514685
N 0.571666 -2.918329 0.174321
N -0.032145 0.534012 1.219457
N -2.174202 -0.568660 1.268300
C 2.686527 1.312842 -0.007409
C 2.920811 -0.083583 0.653206
C 4.090670 1.726017 -0.501892
C 4.991431 0.462362 -0.277989
C 5.843857 0.070371 -1.485431
C 0.459211 -0.692098 0.810082
C 1.796169 -2.359368 0.140736
C -0.277246 -1.885037 0.598073
C -1.711733 -1.894444 0.809736
C -1.351291 0.527436 1.428000
C -3.644074 -0.422412 1.530876
C -4.378935 0.293392 0.405753
C -4.526008 -0.331028 -0.860343
C -4.926130 1.583949 0.609042
C -5.201566 0.333583 -1.905983
C -5.606597 2.248380 -0.437608
C -5.742780 1.625123 -1.698454
H 2.042821 1.184344 -0.901789
H 3.141567 0.069096 1.733223
H 4.462951 2.569645 0.109550
H 5.627591 0.605782 0.618468
H 5.182161 -0.230991 -2.318771
H 6.523299 -0.760931 -1.219808
H 1.227627 1.928971 1.174311
H 4.909794 2.281850 -2.227842
H 2.715930 -2.857269 -0.149719
H 7.313414 1.066139 -2.496142
H -1.833212 1.457005 1.742525
H -3.765297 0.114666 2.487847
H -4.016840 -1.454226 1.650517
H -4.116968 -1.336338 -1.015517
H -4.829742 2.069148 1.589129
H -5.311600 -0.155654 -2.880060
H -6.028299 3.245532 -0.269457
H -6.268550 2.138357 -2.511193


