%chk=000104872.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104872

1 1
O -0.669584 2.317605 -0.941805
O 0.339532 -3.271613 1.808842
O -0.594030 -4.236633 -0.150731
O 3.452171 0.521377 -1.791958
O 4.651400 0.041829 0.201183
O 0.360068 1.767833 -2.851088
N -3.077325 1.657696 0.438250
C -1.701612 1.176044 0.965156
C -3.225217 1.360616 -1.056874
C -0.540907 2.101629 0.485528
C -1.493256 -0.276678 0.604427
C -3.045759 -0.116487 -1.393497
C -2.069932 -0.856347 -0.525673
C -4.169703 0.954438 1.220585
C -3.239453 3.150274 0.642978
C 0.847440 1.524563 0.670421
C -0.664925 -1.033573 1.486715
C -1.815137 -2.213132 -0.878274
C 1.406191 1.318485 -0.643015
C -0.425525 -2.336629 1.140392
C 0.452797 1.753840 -1.665891
C -0.991750 -2.925086 -0.043852
C 1.541156 1.271784 1.826182
C 2.677398 0.816823 -0.710971
C 3.399111 0.532077 0.516632
C 2.872009 0.749588 1.761126
C 0.260835 -4.508634 1.017534
C 4.744473 0.031320 -1.261297
H -1.733798 1.269027 2.090289
H -2.450156 1.964671 -1.615396
H -4.217649 1.721408 -1.408504
H -0.620096 3.117266 0.939645
H -2.719678 -0.188988 -2.463280
H -4.026337 -0.646429 -1.367301
H -4.057807 -0.148213 1.171085
H -4.158258 1.235683 2.288529
H -5.172550 1.195477 0.823383
H -3.052784 3.449329 1.688840
H -2.547531 3.726215 -0.009412
H -4.262435 3.486544 0.386759
H -0.236274 -0.601244 2.387817
H -2.251090 -2.661493 -1.770786
H 1.114800 1.465248 2.809813
H 3.434200 0.542062 2.672938
H -0.239322 -5.272347 1.630020
H 1.269977 -4.740837 0.649233
H 5.520715 0.749839 -1.564089
H 4.864208 -1.010426 -1.591809


%chk=000104872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104872

1 1
O -0.578997 1.871012 -1.313265
O 0.405919 -3.430911 1.378012
O -0.927349 -4.403010 -0.370221
O 3.786075 0.394450 -1.522873
O 4.882344 0.446022 0.616139
O 0.830721 1.074749 -3.014636
N -3.079364 1.677716 0.508312
C -1.639577 1.133047 0.820655
C -3.447629 1.353500 -0.962807
C -0.528889 2.016834 0.155180
C -1.554356 -0.349867 0.467580
C -3.476703 -0.153214 -1.231672
C -2.355175 -0.929171 -0.552538
C -4.066718 1.020609 1.473559
C -3.178818 3.187679 0.699218
C 0.889840 1.618608 0.544402
C -0.602556 -1.137307 1.188388
C -2.201161 -2.304660 -0.895023
C 1.568768 1.210345 -0.639369
C -0.464523 -2.473501 0.826182
C 0.688499 1.320068 -1.816392
C -1.247692 -3.047229 -0.203395
C 1.522172 1.664905 1.794739
C 2.907943 0.825030 -0.531522
C 3.544601 0.860651 0.736120
C 2.890755 1.272209 1.901796
C 0.143218 -4.697525 0.629049
C 5.098002 0.160001 -0.830200
H -1.527733 1.269877 1.915070
H -2.674146 1.841861 -1.574061
H -4.429851 1.821116 -1.148734
H -0.696044 3.084195 0.389434
H -3.417637 -0.283899 -2.328160
H -4.451436 -0.583644 -0.927663
H -3.929930 -0.068315 1.452783
H -3.873400 1.399563 2.489410
H -5.090460 1.283531 1.165611
H -2.734519 3.467255 1.667457
H -2.666337 3.703908 -0.124056
H -4.244109 3.465825 0.688934
H 0.008559 -0.711680 1.987516
H -2.814140 -2.763540 -1.675644
H 0.997440 2.008867 2.692254
H 3.419489 1.299417 2.857410
H -0.224161 -5.461722 1.332462
H 1.059498 -4.996209 0.095136
H 5.840280 0.865708 -1.235822
H 5.377889 -0.897357 -0.955956


