%chk=000208651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208651

0 1
O 2.331552 0.650553 0.473879
O -1.132068 -0.462037 0.568526
O 0.161850 -2.602654 -0.924215
O -4.475310 1.129425 1.964281
O -2.321065 1.671459 2.060629
O 2.396234 2.912883 1.490785
N 0.452651 1.683955 1.298797
C 2.275163 -1.575110 -0.578098
C 2.968549 -0.449641 -0.120517
C 0.212515 -0.492219 0.177972
C 0.793239 -1.666967 -0.477515
C 0.962345 0.573770 0.627247
C 3.030330 -2.620300 -1.146156
C 4.362153 -0.311677 -0.208798
C -2.088391 -0.185938 -0.399744
C 4.414171 -2.512993 -1.243651
C -3.197392 0.544049 0.081538
C 5.076368 -1.361780 -0.777714
C -2.046765 -0.665444 -1.718001
C -4.307310 0.716297 -0.774327
C -3.140393 -0.449012 -2.547792
C -4.275429 0.236647 -2.077043
C -3.214732 1.140475 1.419691
C 1.216850 2.817487 1.721033
H 2.502162 -3.509771 -1.505649
H 4.845634 0.592039 0.162744
H 4.993748 -3.323952 -1.683201
H 6.162627 -1.292740 -0.862785
H -1.186493 -1.245552 -2.063399
H -0.579752 1.630042 1.535412
H -5.188611 1.240344 -0.393651
H -3.125012 -0.825915 -3.572871
H -5.129668 0.382352 -2.735854
H 0.590737 3.551837 2.254781
H -4.499084 1.545284 2.871469


%chk=000208651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208651

0 1
O 2.447368 0.595019 0.603145
O -1.083136 -0.333562 0.482115
O 0.198755 -2.572411 -1.015914
O -4.501260 1.666912 1.767498
O -2.211712 1.724765 1.948977
O 2.327694 3.039726 2.000675
N 0.506435 1.591868 1.450982
C 2.360137 -1.536366 -0.639486
C 3.093473 -0.458742 -0.085628
C 0.288934 -0.437197 0.130372
C 0.872793 -1.593262 -0.541944
C 1.073481 0.571106 0.706905
C 3.086185 -2.566890 -1.293149
C 4.496998 -0.370613 -0.165398
C -2.134025 -0.164275 -0.436771
C 4.486897 -2.502905 -1.386019
C -3.262222 0.579058 0.032583
C 5.191896 -1.403323 -0.822935
C -2.149308 -0.768207 -1.712584
C -4.421435 0.653146 -0.791433
C -3.297773 -0.645661 -2.521373
C -4.441183 0.053208 -2.062182
C -3.227594 1.333319 1.303652
C 1.119212 2.713151 2.042524
H 2.512952 -3.398911 -1.714628
H 5.006726 0.486376 0.283174
H 5.039470 -3.300512 -1.892822
H 6.283392 -1.356787 -0.896767
H -1.300040 -1.379469 -2.026055
H -0.532544 1.517340 1.591650
H -5.287602 1.206320 -0.419170
H -3.305596 -1.121610 -3.507879
H -5.333922 0.127261 -2.690570
H 0.346808 3.307866 2.579815
H -4.408851 2.209456 2.596443


