%chk=000219574.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219574

0 1
O 3.196643 -2.037157 1.203826
O 1.227357 3.323271 0.444639
O 2.485704 -1.845653 -0.975697
O 1.944252 1.908008 -1.220736
N 1.252592 -0.978128 0.812190
N 0.373388 1.248258 0.383769
C 0.297261 -0.183100 -0.008186
C -1.109696 -0.680164 0.236602
C -2.171855 -0.136414 -0.368074
C -3.550509 -0.617522 -0.175376
C 2.335264 -1.620637 0.204467
C 1.270873 2.119520 -0.237260
C -4.590245 0.316211 -0.021759
C -3.842629 -1.990952 -0.156114
C -5.902891 -0.123428 0.161175
C -5.159750 -2.423540 0.020466
C -6.190316 -1.492699 0.182113
C 4.387323 -2.776477 0.772971
C 2.081495 4.397951 -0.070067
C 5.386111 -1.831789 0.141426
C 3.528491 4.126640 0.278742
H 0.590628 -0.288820 -1.102029
H -1.199292 -1.530175 0.916130
H 1.258909 -0.845924 1.822596
H -0.121555 1.554638 1.220779
H -2.071131 0.719412 -1.045482
H -4.372334 1.382693 -0.040304
H -3.043841 -2.719449 -0.289457
H -6.705456 0.602183 0.285359
H -5.382479 -3.489636 0.031185
H 4.068100 -3.581489 0.087342
H 4.722413 -3.189071 1.742527
H 1.652748 5.262748 0.469665
H 1.913551 4.485639 -1.158324
H -7.215037 -1.832087 0.321567
H 5.599155 -0.972145 0.789058
H 6.335565 -2.334555 -0.075184
H 5.002353 -1.429413 -0.811160
H 4.168773 4.981697 0.032050
H 3.913365 3.256686 -0.277921
H 3.655308 3.908768 1.346684


%chk=000219574-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219574

0 1
O 3.165483 -2.269220 1.123653
O 1.081146 3.450052 0.286470
O 2.527954 -1.885310 -1.119884
O 2.051774 1.983979 -1.293771
N 1.384563 -0.926141 0.698383
N 0.436299 1.276393 0.266013
C 0.427445 -0.136436 -0.108021
C -0.971207 -0.731898 -0.012650
C -2.134738 -0.023024 -0.020773
C -3.506868 -0.567820 0.043724
C 2.369825 -1.696527 0.112972
C 1.269149 2.201440 -0.337469
C -4.602478 0.339984 -0.000782
C -3.792638 -1.959849 0.148109
C -5.935339 -0.120084 0.054750
C -5.122754 -2.420472 0.203727
C -6.202250 -1.504295 0.157550
C 4.304279 -3.101865 0.639889
C 1.929691 4.559620 -0.236250
C 5.515955 -2.230280 0.297619
C 3.298997 4.572680 0.448841
H 0.808653 -0.214487 -1.146401
H -0.973878 -1.828352 0.025337
H 1.336356 -0.895739 1.717929
H -0.143142 1.595539 1.044307
H -2.071392 1.072133 -0.103859
H -4.401604 1.415657 -0.083170
H -2.973320 -2.686383 0.184540
H -6.762465 0.597445 0.017174
H -5.322881 -3.495016 0.282365
H 3.968669 -3.679686 -0.239548
H 4.505351 -3.779754 1.485254
H 1.343080 5.464081 -0.007396
H 2.031253 4.438883 -1.329191
H -7.235220 -1.866646 0.200348
H 5.814151 -1.612554 1.162534
H 6.372338 -2.872422 0.018381
H 5.288229 -1.568916 -0.554979
H 3.878654 5.451566 0.109622
H 3.870629 3.664682 0.193061
H 3.190857 4.632940 1.545791


