%chk=000190373.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190373

0 1
O -1.352693 0.305731 -1.220698
O -2.759214 0.141191 0.535995
O -0.488755 2.562258 0.662995
O 0.406725 -4.796872 -0.173159
O 1.880130 0.422401 2.449372
O -4.149148 -1.051123 -0.815616
O -2.704133 3.160056 0.449878
O 5.764000 0.546670 -0.997574
N -0.266334 -2.604315 -0.152285
N -0.185785 -0.066041 -1.902793
N -1.101958 3.798167 -1.118486
C -1.564606 -1.888791 -0.140691
C -0.973656 -2.437789 -1.447624
C -1.520033 -0.375925 0.076255
C -0.370019 -1.459144 -2.441207
C -0.441445 0.146942 1.052993
C 0.889540 0.187935 0.346304
C 0.993933 0.068890 -1.049225
C 0.037772 -3.853426 0.488260
C -0.778095 1.532424 1.646174
C 2.086052 0.355786 1.086487
C 2.242047 0.131893 -1.697288
C -0.003705 -3.800922 1.983131
C -3.994002 -0.105813 -0.091681
C 3.333497 0.421870 0.460379
C 3.396894 0.311864 -0.934705
C -4.929516 0.936221 0.385983
C -1.569684 3.141101 0.013981
C 4.732019 0.386676 -1.611640
C 3.037954 0.645057 3.293984
H -2.461845 -2.360922 0.290148
H -1.439535 -3.315453 -1.924873
H -1.059850 -1.356734 -3.314949
H 0.603575 -1.841211 -2.821985
H -0.367801 -0.571909 1.915618
H -0.074262 1.785913 2.464619
H -1.832004 1.602196 1.979371
H 2.292803 0.051737 -2.782211
H -1.006120 -3.576798 2.369747
H 0.677890 -3.028421 2.375577
H 0.314124 -4.764193 2.413740
H 4.260224 0.556306 1.020033
H -5.777564 1.059991 -0.303939
H -5.329566 0.706035 1.384866
H -4.418897 1.925794 0.482091
H 4.720085 0.287098 -2.709407
H 2.583915 0.668822 4.292971
H 3.742692 -0.186581 3.200275
H 3.504787 1.605152 3.052092
H -1.783690 4.108074 -1.797853
H -0.197244 3.540433 -1.492829


%chk=000190373-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190373

0 1
O -1.358962 0.386422 -1.247687
O -2.819016 0.133069 0.567806
O -0.582871 2.689189 0.491319
O 0.597442 -4.747775 -0.197475
O 1.888138 0.433715 2.501969
O -4.072639 -0.889752 -1.144524
O -2.889030 3.234841 0.455679
O 5.893422 0.157444 -0.942406
N -0.228052 -2.570311 -0.175176
N -0.135130 -0.107847 -1.905881
N -1.360997 4.098948 -1.097697
C -1.523893 -1.844513 -0.130140
C -0.976640 -2.427574 -1.442200
C -1.532404 -0.320245 0.078050
C -0.426654 -1.456765 -2.485161
C -0.453224 0.244804 1.030277
C 0.905973 0.201122 0.342430
C 1.026554 0.025747 -1.058869
C 0.189841 -3.752602 0.463180
C -0.780789 1.676885 1.547155
C 2.099021 0.312642 1.116167
C 2.298614 -0.015910 -1.675878
C 0.202213 -3.675228 1.984784
C -4.010721 -0.092700 -0.191714
C 3.371309 0.263703 0.520200
C 3.463130 0.097452 -0.886622
C -5.101252 0.778372 0.372253
C -1.728838 3.327570 -0.021293
C 4.790924 0.053848 -1.545603
C 3.074999 0.520475 3.362146
H -2.371672 -2.365746 0.331025
H -1.466008 -3.328409 -1.833513
H -1.175288 -1.318503 -3.282408
H 0.505943 -1.843839 -2.930005
H -0.408503 -0.387802 1.939415
H -0.059123 1.930094 2.338269
H -1.816406 1.735669 1.918675
H 2.374158 -0.117900 -2.764464
H -0.792241 -3.402085 2.383547
H 0.918973 -2.902403 2.317363
H 0.502840 -4.650815 2.393549
H 4.302029 0.349632 1.087896
H -6.024372 0.648274 -0.210078
H -5.285830 0.520857 1.430487
H -4.757834 1.828544 0.351869
H 4.758806 -0.083445 -2.656020
H 2.682477 0.590149 4.387009
H 3.707235 -0.381648 3.260454
H 3.672076 1.420895 3.125664
H -2.075026 4.636208 -1.580271
H -0.413200 4.045550 -1.462949


