%chk=000187534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187534

0 1
O -5.312582 2.293967 -0.268990
O -5.208603 0.162239 0.057831
O -3.210778 -1.133817 2.338975
O 5.467719 0.503384 1.771830
O -3.758389 -4.009956 -2.060823
O 5.276679 -3.140841 -2.005350
N -4.692329 1.258443 -0.100915
C -0.422468 1.622988 -0.069371
C 1.015653 1.775413 -0.061939
C -1.006510 0.324177 -0.043989
C 1.857734 0.626558 -0.036639
C -1.254751 2.779054 -0.103506
C 1.584546 3.079803 -0.079740
C -2.410463 0.186258 -0.061355
C 3.258460 0.803284 -0.047356
C -0.118934 -0.824609 0.015155
C 1.227422 -0.681166 0.020749
C -3.212033 1.344080 -0.093022
C -2.645222 2.626030 -0.114059
C -0.640307 4.095340 -0.123771
C 0.705811 4.236715 -0.111556
C 2.981177 3.222666 -0.061800
C 3.803000 2.098891 -0.041307
C -3.030053 -1.157656 -0.045340
C 4.187095 -0.342509 -0.068998
C -3.531578 -1.653386 1.298024
C -3.144598 -1.913885 -1.144230
C 5.190963 -0.434413 1.063577
C 4.199528 -1.257815 -1.048572
C -3.809456 -3.254673 -1.118689
C -4.417701 -2.858326 1.245099
C 5.126177 -2.429290 -1.040533
C 5.859575 -1.765124 1.223658
C -4.541018 -3.597592 0.142346
C 5.845342 -2.677935 0.252219
H -0.572709 -1.816552 0.065638
H 1.875084 -1.557830 0.083252
H -3.303052 3.504909 -0.139469
H -1.303449 4.962041 -0.147140
H 1.172211 5.223447 -0.123938
H 3.426753 4.218207 -0.059386
H 4.889464 2.223722 -0.007349
H -2.780853 -1.599282 -2.126717
H 3.533553 -1.203270 -1.916071
H -4.942839 -3.080054 2.179113
H 6.376818 -1.908069 2.176745
H -5.173210 -4.487933 0.083616
H 6.350523 -3.644734 0.325189


%chk=000187534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187534

0 1
O -5.379515 2.489195 -0.227759
O -5.307970 0.236407 -0.507030
O -4.034882 -0.676361 2.144190
O 5.565519 0.433940 1.843000
O -3.425086 -4.274947 -1.899968
O 4.815268 -3.487545 -1.875735
N -4.731919 1.377414 -0.298374
C -0.441624 1.639062 -0.043671
C 0.990880 1.766491 0.010344
C -1.066797 0.335333 -0.036677
C 1.832205 0.592134 0.053245
C -1.261826 2.825962 -0.088336
C 1.584752 3.082788 0.030224
C -2.495109 0.212383 -0.108824
C 3.262895 0.747049 0.084199
C -0.202032 -0.816695 0.097044
C 1.174046 -0.692982 0.135768
C -3.253032 1.415084 -0.161435
C -2.666012 2.692054 -0.145796
C -0.637817 4.129564 -0.079720
C 0.736782 4.251079 -0.020334
C 2.997500 3.198650 0.108328
C 3.812901 2.058095 0.141462
C -3.146889 -1.129258 -0.069231
C 4.193587 -0.406858 0.008869
C -3.972895 -1.465990 1.151986
C -2.955728 -2.080405 -1.040506
C 5.377286 -0.455247 0.953254
C 4.047552 -1.426630 -0.909212
C -3.608918 -3.408507 -0.982750
C -4.667301 -2.778841 1.174534
C 4.984536 -2.566569 -1.008565
C 6.321785 -1.598377 0.839196
C -4.496051 -3.696333 0.177432
C 6.141417 -2.597417 -0.073932
H -0.650667 -1.808915 0.186300
H 1.781169 -1.592766 0.263899
H -3.315304 3.570293 -0.192973
H -1.279071 5.016725 -0.115941
H 1.209190 5.239371 -0.006674
H 3.452933 4.194506 0.134371
H 4.897613 2.176768 0.191215
H -2.348822 -1.880821 -1.930825
H 3.234818 -1.420654 -1.644064
H -5.300799 -2.966332 2.048498
H 7.161734 -1.585398 1.542522
H -4.986830 -4.675934 0.184024
H 6.823933 -3.449667 -0.164475


