%chk=000194550.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194550

0 1
O -2.076619 -2.458726 0.389620
O -0.423632 -2.130673 -1.874747
O -2.658829 -0.359558 1.966662
O -2.383331 0.782580 -2.464185
O -4.673671 1.028287 0.522466
O -0.376083 1.998003 -1.175972
O 1.012593 0.049559 1.382867
N 1.122168 0.270353 -1.440149
N 3.120724 1.016499 1.585266
N 3.294048 0.944694 2.829852
N 3.627158 0.965990 3.908057
C -1.593773 -1.163276 -0.003388
C -1.530972 -1.268298 -1.540203
C -2.512464 -0.060063 0.561465
C -1.189723 0.033468 -2.300673
C -3.952871 -0.098674 0.024943
C -0.126007 0.873052 -1.577035
C 2.152831 0.912722 -0.618655
C 1.964896 0.584043 0.861010
H -0.564045 -1.059684 0.431163
H -2.470741 -1.714812 -1.945009
H -2.065816 0.953441 0.440049
H -0.863340 -0.225348 -3.343237
H -3.986311 0.035915 -1.078193
H -4.466904 -1.032977 0.314819
H -2.481615 -2.396493 1.296699
H -0.545861 -3.004448 -1.423372
H -1.860011 -0.068355 2.460402
H -2.358057 1.627621 -1.925508
H 1.229538 -0.735498 -1.634211
H 2.104361 2.032089 -0.741162
H 3.169346 0.606880 -0.969676
H -4.703389 0.991187 1.507432


%chk=000194550-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194550

0 1
O -1.926179 -2.333218 0.448684
O -0.512077 -2.034490 -1.751553
O -3.097917 -0.443783 2.002998
O -2.175505 1.247224 -2.141632
O -5.371669 0.259746 0.647765
O 0.195573 2.159271 -1.342640
O 1.307505 0.263758 1.466739
N 1.231503 0.061436 -1.377862
N 3.566519 1.042897 1.364226
N 3.670313 1.174017 2.628291
N 3.907220 1.342470 3.769315
C -1.743887 -0.922580 0.040842
C -1.560844 -1.019337 -1.487330
C -2.935102 -0.084370 0.553992
C -1.098890 0.272433 -2.196142
C -4.294651 -0.404286 -0.086365
C 0.174768 0.908406 -1.589666
C 2.443318 0.535723 -0.732710
C 2.315829 0.576006 0.797014
H -0.812440 -0.536265 0.505986
H -2.506500 -1.350102 -1.956450
H -2.722198 0.994756 0.453411
H -0.877886 0.002004 -3.250422
H -4.324046 0.006313 -1.107360
H -4.447929 -1.503913 -0.117607
H -2.286796 -2.309715 1.376078
H -0.720554 -2.792373 -1.138402
H -2.502084 0.122231 2.554074
H -1.739737 2.128439 -1.942724
H 1.026419 -0.947754 -1.499180
H 2.668593 1.563753 -1.071200
H 3.306229 -0.098722 -1.000357
H -5.223299 0.049526 1.607581


