%chk=000180169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180169

0 1
O -1.000336 1.598302 -0.250253
O -2.712997 2.452996 -1.481583
O 3.805139 -0.071941 0.049624
N -2.961442 0.405541 -0.374854
C -4.403862 0.234449 -0.803939
C -2.358190 -0.615351 0.449027
C -5.243592 1.399363 -0.277751
C -4.481183 0.118416 -2.326272
C -2.286401 1.562780 -0.769853
C -1.569427 -0.264549 1.559974
C -2.588763 -1.969317 0.141496
C -0.213926 2.777737 -0.636992
C 1.147326 2.514746 -0.056604
C -1.031302 -1.269451 2.364200
C -2.049846 -2.960192 0.964882
C 1.771597 1.283215 -0.296186
C 1.787779 3.504764 0.700088
C -1.275154 -2.617022 2.076855
C 3.037925 1.068792 0.253679
C 3.065550 3.266177 1.223288
C 3.705106 2.046491 1.013485
C 3.201849 -1.280692 -0.315946
C 1.999090 -1.739836 0.228963
C 3.975975 -2.046449 -1.200470
C 1.557992 -3.013939 -0.140295
C 3.515443 -3.318308 -1.542877
C 2.308874 -3.800874 -1.019790
H -4.769468 -0.717720 -0.333076
H -4.933290 2.357438 -0.726770
H -5.157861 1.508247 0.809062
H -6.302967 1.260469 -0.518064
H -5.508877 -0.062887 -2.657841
H -4.142451 1.047220 -2.815208
H -3.853538 -0.692522 -2.710716
H -1.365231 0.785819 1.780381
H -3.170674 -2.248912 -0.734416
H -0.202006 2.844657 -1.742332
H -0.720344 3.667608 -0.222138
H -0.420984 -0.999045 3.226222
H -2.235211 -4.008864 0.733753
H 1.266775 0.521745 -0.890773
H 1.300024 4.458634 0.886322
H -0.862599 -3.393732 2.717114
H 3.562597 4.041869 1.806908
H 4.694237 1.838204 1.414945
H 1.421058 -1.130168 0.922211
H 4.907705 -1.647101 -1.594092
H 0.617821 -3.391276 0.265364
H 4.098000 -3.936480 -2.225640
H 1.955857 -4.790949 -1.298912


%chk=000180169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180169

0 1
O -1.002952 1.554262 -0.264317
O -2.794526 2.536223 -1.406247
O 3.993550 -0.018120 -0.106716
N -3.047778 0.457134 -0.326064
C -4.486619 0.333720 -0.774789
C -2.492194 -0.601350 0.488749
C -5.362048 1.455342 -0.170475
C -4.612179 0.247436 -2.312062
C -2.335555 1.585680 -0.714533
C -1.817031 -0.323088 1.704736
C -2.685069 -1.951135 0.095301
C -0.175758 2.720745 -0.701048
C 1.210633 2.518339 -0.133310
C -1.336986 -1.381379 2.504981
C -2.215422 -3.005688 0.908475
C 1.906284 1.312635 -0.395378
C 1.824759 3.533723 0.637567
C -1.537076 -2.727636 2.117244
C 3.198766 1.126483 0.139021
C 3.134116 3.345090 1.140432
C 3.825308 2.140964 0.900557
C 3.424800 -1.286582 -0.397863
C 2.229894 -1.759547 0.193733
C 4.190285 -2.109518 -1.253468
C 1.795736 -3.071765 -0.100386
C 3.747997 -3.421231 -1.529818
C 2.547032 -3.906617 -0.959871
H -4.822988 -0.624315 -0.339387
H -5.075941 2.437748 -0.578180
H -5.262223 1.480001 0.929631
H -6.423153 1.266149 -0.416164
H -5.666635 0.062659 -2.587166
H -4.288245 1.190526 -2.780950
H -3.999104 -0.577512 -2.718445
H -1.658855 0.714451 2.009257
H -3.185122 -2.175602 -0.853146
H -0.183804 2.745893 -1.806767
H -0.641701 3.652074 -0.334941
H -0.817665 -1.152681 3.442359
H -2.374307 -4.042593 0.591496
H 1.428727 0.531899 -0.994296
H 1.284502 4.464020 0.846185
H -1.174286 -3.544810 2.750192
H 3.612139 4.133553 1.731495
H 4.833957 1.967302 1.286810
H 1.646971 -1.127802 0.870703
H 5.114675 -1.711932 -1.683082
H 0.863831 -3.431677 0.348963
H 4.340354 -4.060984 -2.193328
H 2.202701 -4.922388 -1.181491


